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

C15H15ClN2O2 — CID 107062803

IUPAC3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1ccccc1CCNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-4-2-3-5-11(10)6-8-17-14-13(16)12(15(19)20)7-9-18-14/h2-5,7,9H,6,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyUMYHTLHXHSBDKY-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.40
Rot. Bonds5

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

3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 107062803) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
PubChem CID107062803
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1ccccc1CCNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-4-2-3-5-11(10)6-8-17-14-13(16)12(15(19)20)7-9-18-14/h2-5,7,9H,6,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyUMYHTLHXHSBDKY-UHFFFAOYSA-N
XLogP3.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
CID 107061768
4-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carboxylic acid
CID 115148987
2-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]benzoic acid
CID 107056431
3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid
CID 107061773
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918
3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062092
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 112723330
3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 106342812
3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 107063076
3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 107062793

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid (CID 107062803) is 3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid is Cc1ccccc1CCNc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is UMYHTLHXHSBDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-4-2-3-5-11(10)6-8-17-14-13(16)12(15(19)20)7-9-18-14/h2-5,7,9H,6,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107062803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).