2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid

C14H13ClN2O2 — CID 43343670

IUPAC2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid
SMILESCc1ccc(CNc2cc(C(=O)O)cc(Cl)n2)cc1
InChIInChI=1S/C14H13ClN2O2/c1-9-2-4-10(5-3-9)8-16-13-7-11(14(18)19)6-12(15)17-13/h2-7H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKOTUCSMYGXROPM-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.35
Rot. Bonds4

About 2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid

2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 43343670) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid
PubChem CID43343670
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid
SMILESCc1ccc(CNc2cc(C(=O)O)cc(Cl)n2)cc1
InChIInChI=1S/C14H13ClN2O2/c1-9-2-4-10(5-3-9)8-16-13-7-11(14(18)19)6-12(15)17-13/h2-7H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKOTUCSMYGXROPM-UHFFFAOYSA-N
XLogP3.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.35
H-Bond Donors ≤ 52
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-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid
CID 62268789
methyl 2-(benzylamino)-6-chloropyridine-4-carboxylate
CID 87562356
2-chloro-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114700702
4-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 18388121
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
4-[[2-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113193226
2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 43343491
3-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 108778315
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617465
4-chloro-3-[(4-methylphenyl)methylamino]benzoic acid
CID 17058925
2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid
CID 63538354
2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43553797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid (CID 43343670) is 2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid is Cc1ccc(CNc2cc(C(=O)O)cc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is KOTUCSMYGXROPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-2-4-10(5-3-9)8-16-13-7-11(14(18)19)6-12(15)17-13/h2-7H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid?
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 276.72 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 43343670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).