2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid

C14H11ClN2O4 — CID 115410990

IUPAC2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)c2ccc(Cl)cn2)c(C(=O)O)c1
InChIInChI=1S/C14H11ClN2O4/c1-21-9-3-5-11(10(6-9)14(19)20)17-13(18)12-4-2-8(15)7-16-12/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyNCFXIQGSKBTWFE-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.69
Rot. Bonds4

About 2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid

2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid (PubChem CID 115410990) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid
PubChem CID115410990
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)c2ccc(Cl)cn2)c(C(=O)O)c1
InChIInChI=1S/C14H11ClN2O4/c1-21-9-3-5-11(10(6-9)14(19)20)17-13(18)12-4-2-8(15)7-16-12/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyNCFXIQGSKBTWFE-UHFFFAOYSA-N
XLogP2.69
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 78980914
2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
CID 104638375
1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 143758587
2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid
CID 78980996
2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410909
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 115410984
2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid
CID 104785687
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
CID 115410948
N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide
CID 165367029
5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid
CID 115410954

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid?
The IUPAC name of 2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid (CID 115410990) is 2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid is COc1ccc(NC(=O)c2ccc(Cl)cn2)c(C(=O)O)c1.
What is the InChIKey of 2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid?
The InChIKey is NCFXIQGSKBTWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-21-9-3-5-11(10(6-9)14(19)20)17-13(18)12-4-2-8(15)7-16-12/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid?
2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid has a molecular weight of 306.71 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid is sourced from PubChem (CID 115410990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).