6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid

C14H12ClN3O2 — CID 145290171

IUPAC6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid
SMILES[H]/N=C(\C)c1c(Cl)cc(C(=O)O)nc1Nc1ccccc1
InChIInChI=1S/C14H12ClN3O2/c1-8(16)12-10(15)7-11(14(19)20)18-13(12)17-9-5-3-2-4-6-9/h2-7,16H,1H3,(H,17,18)(H,19,20)/b16-8+
InChIKeyBFFFURRYKBDUQC-LZYBPNLTSA-N
MW289.72 g/mol
LogP3.56
Rot. Bonds4

About 6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid

6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid (PubChem CID 145290171) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid
PubChem CID145290171
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid
SMILES[H]/N=C(\C)c1c(Cl)cc(C(=O)O)nc1Nc1ccccc1
InChIInChI=1S/C14H12ClN3O2/c1-8(16)12-10(15)7-11(14(19)20)18-13(12)17-9-5-3-2-4-6-9/h2-7,16H,1H3,(H,17,18)(H,19,20)/b16-8+
InChIKeyBFFFURRYKBDUQC-LZYBPNLTSA-N
XLogP3.56
TPSA86.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-anilino-6-bromo-3-ethanimidoylpyridine-4-carboxylic acid
CID 145290176
6-anilino-5-ethanimidoyl-4-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxylic acid
CID 129023646
6-(3-chloroanilino)-5-ethanimidoyl-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
CID 145290475
6-anilino-4-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-ethanimidoylpyridine-2-carboxylic acid
CID 129024070
2-anilino-N-(3,5-dimethyl-4-pyridinyl)-3-ethanimidoyl-6-methylpyridine-4-carboxamide
CID 89369436
6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 145131074
ethyl 6-anilino-4-[4-(4-tert-butylpiperazin-1-yl)phenyl]-5-ethanimidoylpyridine-2-carboxylate
CID 129033707
6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane
CID 145290098
6-anilino-5-(cyclobutanecarboximidoyl)-4-[3-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 129023938
6-anilino-5-(cyclobutanecarboximidoyl)-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]pyridine-2-carboxylic acid
CID 129023897
6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 129024212
5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid
CID 159458826

Frequently Asked Questions

What is the IUPAC name of 6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid?
The IUPAC name of 6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid (CID 145290171) is 6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid?
The canonical SMILES for 6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid is [H]/N=C(\C)c1c(Cl)cc(C(=O)O)nc1Nc1ccccc1.
What is the InChIKey of 6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid?
The InChIKey is BFFFURRYKBDUQC-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-8(16)12-10(15)7-11(14(19)20)18-13(12)17-9-5-3-2-4-6-9/h2-7,16H,1H3,(H,17,18)(H,19,20)/b16-8+.
What are the key properties of 6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid?
6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid has a molecular weight of 289.72 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-4-chloro-5-ethanimidoylpyridine-2-carboxylic acid is sourced from PubChem (CID 145290171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).