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Home > Imidazoles > 1262771-79-8
1262771-79-8 | 4-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine hydrate
CAS No: 1262771-79-8 Catalog No: AG01BGLF MDL No:MFCD13193909
Product Description
Catalog Number:
AG01BGLF
Chemical Name:
4-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine hydrate
CAS Number:
1262771-79-8
Molecular Formula:
C11H14N4O
Molecular Weight:
218.2551
MDL Number:
MFCD13193909
IUPAC Name:
4-pyridin-4-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate
InChI:
InChI=1S/C11H12N4.H2O/c1-4-12-5-2-8(1)10-11-9(3-6-13-10)14-7-15-11;/h1-2,4-5,7,10,13H,3,6H2,(H,14,15);1H2
InChI Key:
XUGHIEFPEGHKHD-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)C1NCCc2c1[nH]cn2.O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.117g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.26g/mol
Monoisotopic Mass:
218.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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