3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid

C15H15ClN2O2 — CID 107062092

IUPAC3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1ccccc1C(C)Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C15H15ClN2O2/c1-9-5-3-4-6-11(9)10(2)18-14-13(16)12(15(19)20)7-8-17-14/h3-8,10H,1-2H3,(H,17,18)(H,19,20)
InChIKeyZUCUBBDPIRPYJE-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.91
Rot. Bonds4

About 3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid

3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 107062092) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
PubChem CID107062092
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1ccccc1C(C)Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C15H15ClN2O2/c1-9-5-3-4-6-11(9)10(2)18-14-13(16)12(15(19)20)7-8-17-14/h3-8,10H,1-2H3,(H,17,18)(H,19,20)
InChIKeyZUCUBBDPIRPYJE-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

3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
CID 107061996
3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062803
2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 60709058
3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 107062922
3-chloro-2-(pent-4-yn-2-ylamino)pyridine-4-carboxylic acid
CID 107063005
3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 107062716
3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131874
3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 107062606
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 62711356
3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106162707
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729650

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid (CID 107062092) is 3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid is Cc1ccccc1C(C)Nc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is ZUCUBBDPIRPYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-5-3-4-6-11(9)10(2)18-14-13(16)12(15(19)20)7-8-17-14/h3-8,10H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-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 3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107062092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).