2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid

C13H19ClN2O2 — CID 55000783

IUPAC2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)CN(c1cc(C(=O)O)cc(Cl)n1)C(C)C
InChIInChI=1S/C13H19ClN2O2/c1-8(2)7-16(9(3)4)12-6-10(13(17)18)5-11(14)15-12/h5-6,8-9H,7H2,1-4H3,(H,17,18)
InChIKeyUFQFFSUMCWHSBH-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.30
Rot. Bonds5

About 2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid

2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 55000783) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID55000783
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)CN(c1cc(C(=O)O)cc(Cl)n1)C(C)C
InChIInChI=1S/C13H19ClN2O2/c1-8(2)7-16(9(3)4)12-6-10(13(17)18)5-11(14)15-12/h5-6,8-9H,7H2,1-4H3,(H,17,18)
InChIKeyUFQFFSUMCWHSBH-UHFFFAOYSA-N
XLogP3.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.30
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-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 83073442
2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid
CID 143234511
2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43343644
2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid
CID 54998875
2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
CID 79858550
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
2-chloro-6-(2-methylpropylsulfanyl)pyridine-4-carboxylic acid
CID 43166634
2-[bis(cyanomethyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43166592
2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417393
2-chloro-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417716
2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid
CID 61422213
2-[acetyl(prop-2-enyl)amino]-6-chloropyridine-4-carboxylic acid
CID 86620480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid (CID 55000783) is 2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid is CC(C)CN(c1cc(C(=O)O)cc(Cl)n1)C(C)C.
What is the InChIKey of 2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is UFQFFSUMCWHSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8(2)7-16(9(3)4)12-6-10(13(17)18)5-11(14)15-12/h5-6,8-9H,7H2,1-4H3,(H,17,18).
What are the key properties of 2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 270.76 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 55000783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).