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1190316-72-3 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-iodo-4-methyl-
CAS No: 1190316-72-3 Catalog No: AG000HPW MDL No:
Product Description
Catalog Number:
AG000HPW
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-iodo-4-methyl-
CAS Number:
1190316-72-3
Molecular Formula:
C9H7IN2O2
Molecular Weight:
302.0686
IUPAC Name:
3-iodo-4-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C9H7IN2O2/c1-4-5(9(13)14)2-11-8-7(4)6(10)3-12-8/h2-3H,1H3,(H,11,12)(H,13,14)
InChI Key:
FAIXDYNBARIGDD-UHFFFAOYSA-N
SMILES:
Cc1c(cnc2c1c(I)c[nH]2)C(=O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.071g/mol
Monoisotopic Mass:
301.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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