6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid

C14H11ClN2O3 — CID 137373603

IUPAC6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCc1cccc(Cl)c1C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C14H11ClN2O3/c1-8-3-2-4-10(15)12(8)13(18)17-11-6-5-9(7-16-11)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
InChIKeyBBBXCXJSFODCQU-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.99
Rot. Bonds3

About 6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid

6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 137373603) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID137373603
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCc1cccc(Cl)c1C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C14H11ClN2O3/c1-8-3-2-4-10(15)12(8)13(18)17-11-6-5-9(7-16-11)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
InChIKeyBBBXCXJSFODCQU-UHFFFAOYSA-N
XLogP2.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81267592
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62240088
6-[(2,5-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099748
2,6-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 23440185
6-[(3-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 22099827
6-[(2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317349
2-chloro-6-methyl-N-pyridin-4-ylbenzamide
CID 59618146
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
6-[(2-hydroxy-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 61317963
6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid
CID 61318371

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid (CID 137373603) is 6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid is Cc1cccc(Cl)c1C(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is BBBXCXJSFODCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-8-3-2-4-10(15)12(8)13(18)17-11-6-5-9(7-16-11)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid?
6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 290.71 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 137373603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).