2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid

C15H15ClN2O2 — CID 62711356

IUPAC2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H15ClN2O2/c1-9-7-8-12(15(19)20)14(17-9)18-10(2)11-5-3-4-6-13(11)16/h3-8,10H,1-2H3,(H,17,18)(H,19,20)
InChIKeyARXXNPOPHDIBMA-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.91
Rot. Bonds4

About 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid

2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 62711356) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID62711356
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H15ClN2O2/c1-9-7-8-12(15(19)20)14(17-9)18-10(2)11-5-3-4-6-13(11)16/h3-8,10H,1-2H3,(H,17,18)(H,19,20)
InChIKeyARXXNPOPHDIBMA-UHFFFAOYSA-N
XLogP3.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-benzofuran-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 167821100
6-methyl-2-(1-quinolin-8-ylethylamino)pyridine-3-carboxylic acid
CID 167911650
2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 43322123
3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62711194
4-[1-(2-chlorophenyl)ethylamino]-2,3-difluorobenzoic acid
CID 79834693
2-(1-hydroxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 63264614
2-[1-(2-chlorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569922
2-(3-ethylpentan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 63839654
5-bromo-2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 114895551
3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062092
5-[1-(2-chlorophenyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 63758433
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid (CID 62711356) is 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(NC(C)c2ccccc2Cl)n1.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is ARXXNPOPHDIBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-7-8-12(15(19)20)14(17-9)18-10(2)11-5-3-4-6-13(11)16/h3-8,10H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid?
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 62711356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).