6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid

C15H15ClN2O2 — CID 63538850

IUPAC6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid
SMILESCCc1ccc(N(C)c2nc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C15H15ClN2O2/c1-3-10-4-6-11(7-5-10)18(2)14-12(15(19)20)8-9-13(16)17-14/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyBQDBPINVOZFJPR-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.76
Rot. Bonds4

About 6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid

6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid (PubChem CID 63538850) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid
PubChem CID63538850
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid
SMILESCCc1ccc(N(C)c2nc(Cl)ccc2C(=O)O)cc1
InChIInChI=1S/C15H15ClN2O2/c1-3-10-4-6-11(7-5-10)18(2)14-12(15(19)20)8-9-13(16)17-14/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyBQDBPINVOZFJPR-UHFFFAOYSA-N
XLogP3.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid
CID 63514692
4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid
CID 115148880
6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63380049
6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
CID 63380325
(6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone
CID 86596737
5-bromo-2-(4-ethyl-N-methylanilino)benzoic acid
CID 114895690
2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid
CID 103102785
6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
CID 55183616
3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 81038178
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588
methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 62003650
6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid
CID 107200362

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid (CID 63538850) is 6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid is CCc1ccc(N(C)c2nc(Cl)ccc2C(=O)O)cc1.
What is the InChIKey of 6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is BQDBPINVOZFJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-3-10-4-6-11(7-5-10)18(2)14-12(15(19)20)8-9-13(16)17-14/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid?
6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63538850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).