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306980-90-5 | 6-chloro-N-[3-cyano-4-(methylsulfanyl)phenyl]pyridine-3-carboxamide
CAS No: 306980-90-5 Catalog No: AG00IQ9M MDL No:MFCD00793914
Product Description
Catalog Number:
AG00IQ9M
Chemical Name:
6-chloro-N-[3-cyano-4-(methylsulfanyl)phenyl]pyridine-3-carboxamide
CAS Number:
306980-90-5
Molecular Formula:
C14H10ClN3OS
Molecular Weight:
303.7667
MDL Number:
MFCD00793914
IUPAC Name:
6-chloro-N-(3-cyano-4-methylsulfanylphenyl)pyridine-3-carboxamide
InChI:
InChI=1S/C14H10ClN3OS/c1-20-12-4-3-11(6-10(12)7-16)18-14(19)9-2-5-13(15)17-8-9/h2-6,8H,1H3,(H,18,19)
InChI Key:
QNUXTDSCCBHVPP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1SC)NC(=O)c1ccc(nc1)Cl
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.023g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.764g/mol
Monoisotopic Mass:
303.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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