3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid

C14H10Cl2N2O3 — CID 107048071

IUPAC3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid
SMILESCc1cncc(C(=O)Nc2c(Cl)ccc(Cl)c2C(=O)O)c1
InChIInChI=1S/C14H10Cl2N2O3/c1-7-4-8(6-17-5-7)13(19)18-12-10(16)3-2-9(15)11(12)14(20)21/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyCZHGFWYDUDOGLX-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.65
Rot. Bonds3

About 3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid

3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid (PubChem CID 107048071) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid
PubChem CID107048071
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid
SMILESCc1cncc(C(=O)Nc2c(Cl)ccc(Cl)c2C(=O)O)c1
InChIInChI=1S/C14H10Cl2N2O3/c1-7-4-8(6-17-5-7)13(19)18-12-10(16)3-2-9(15)11(12)14(20)21/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyCZHGFWYDUDOGLX-UHFFFAOYSA-N
XLogP3.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-5-methylpyridine-3-carboxamide
CID 143700451
2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid
CID 107047863
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797
2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid
CID 107048547
3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 107048836
N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide
CID 116813683
3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 107048425
2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600
N-[2-(2-chlorophenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 11608789
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
N-[2,2-dimethyl-3-[(5-methylpyridine-3-carbonyl)amino]propyl]-5-methylpyridine-3-carboxamide
CID 71994778
N-(3-chloro-4-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63865104

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid (CID 107048071) is 3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid is Cc1cncc(C(=O)Nc2c(Cl)ccc(Cl)c2C(=O)O)c1.
What is the InChIKey of 3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is CZHGFWYDUDOGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-7-4-8(6-17-5-7)13(19)18-12-10(16)3-2-9(15)11(12)14(20)21/h2-6H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid?
3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 325.15 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107048071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).