3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid

C14H13ClN2O4 — CID 67072116

IUPAC3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid
SMILESCOCOc1c(Nc2ncccc2Cl)cccc1C(=O)O
InChIInChI=1S/C14H13ClN2O4/c1-20-8-21-12-9(14(18)19)4-2-6-11(12)17-13-10(15)5-3-7-16-13/h2-7H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyAPWXUKWSLPTNFU-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.16
Rot. Bonds6

About 3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid

3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid (PubChem CID 67072116) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid.

Molecular Properties

Compound Name3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid
PubChem CID67072116
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid
SMILESCOCOc1c(Nc2ncccc2Cl)cccc1C(=O)O
InChIInChI=1S/C14H13ClN2O4/c1-20-8-21-12-9(14(18)19)4-2-6-11(12)17-13-10(15)5-3-7-16-13/h2-7H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyAPWXUKWSLPTNFU-UHFFFAOYSA-N
XLogP3.16
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 67783774
[(E)-4-[2-(3-chloro-2-methylanilino)pyridine-3-carbonyl]oxybut-2-enyl] 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate
CID 164931481
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid;2,6-diaminohexanoic acid
CID 10047082
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204
2-[3-chloro-5-deuterio-2-(trideuteriomethyl)anilino]pyridine-3-carboxylic acid
CID 172990311
2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 23633001
N-(3-chloro-2-pyridinyl)-2-(ethylamino)benzamide
CID 103094805
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid
CID 11602849

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid?
The IUPAC name of 3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid (CID 67072116) is 3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid.
What is the SMILES notation for 3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid?
The canonical SMILES for 3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid is COCOc1c(Nc2ncccc2Cl)cccc1C(=O)O.
What is the InChIKey of 3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid?
The InChIKey is APWXUKWSLPTNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-20-8-21-12-9(14(18)19)4-2-6-11(12)17-13-10(15)5-3-7-16-13/h2-7H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid?
3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid has a molecular weight of 308.72 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid is sourced from PubChem (CID 67072116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).