2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid

C10H13ClN2O2 — CID 21430349

IUPAC2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
SMILESCCC(C)Nc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-3-6(2)12-9-5-7(10(14)15)4-8(11)13-9/h4-6H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyXZHDGLIKPJVXIQ-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.64
Rot. Bonds4

About 2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid

2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid (PubChem CID 21430349) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
PubChem CID21430349
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
SMILESCCC(C)Nc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-3-6(2)12-9-5-7(10(14)15)4-8(11)13-9/h4-6H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyXZHDGLIKPJVXIQ-UHFFFAOYSA-N
XLogP2.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.64
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-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131107
2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 82939267
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-chloropyridine-4-carboxylic acid
CID 114176382
2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 62305582
2-(but-3-yn-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 114417592
2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 65048396
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid
CID 43533609
2-chloro-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114152086
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid
CID 63538856
2-(butan-2-ylamino)-6-propylsulfinylpyridine-4-carboxylic acid
CID 68814739
2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid
CID 63538354

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid (CID 21430349) is 2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid is CCC(C)Nc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid?
The InChIKey is XZHDGLIKPJVXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-3-6(2)12-9-5-7(10(14)15)4-8(11)13-9/h4-6H,3H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid?
2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid has a molecular weight of 228.68 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 21430349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).