2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid

C12H17ClN2O3 — CID 65048396

IUPAC2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCOCC(Nc1cc(C(=O)O)cc(Cl)n1)C(C)C
InChIInChI=1S/C12H17ClN2O3/c1-7(2)9(6-18-3)14-11-5-8(12(16)17)4-10(13)15-11/h4-5,7,9H,6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyICOHCQQXVNVTNO-UHFFFAOYSA-N
MW272.73 g/mol
LogP2.52
Rot. Bonds6

About 2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid

2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 65048396) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID65048396
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCOCC(Nc1cc(C(=O)O)cc(Cl)n1)C(C)C
InChIInChI=1S/C12H17ClN2O3/c1-7(2)9(6-18-3)14-11-5-8(12(16)17)4-10(13)15-11/h4-5,7,9H,6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyICOHCQQXVNVTNO-UHFFFAOYSA-N
XLogP2.52
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349
2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131107
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-chloropyridine-4-carboxylic acid
CID 114176382
2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 82939267
6-chloro-N-(1-methoxy-3-methylbutan-2-yl)pyrazin-2-amine
CID 65047983
2-(but-3-yn-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 114417592
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
2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid
CID 63538856
2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 62305582
2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 61477326
2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid
CID 43343634

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid (CID 65048396) is 2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid is COCC(Nc1cc(C(=O)O)cc(Cl)n1)C(C)C.
What is the InChIKey of 2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is ICOHCQQXVNVTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-7(2)9(6-18-3)14-11-5-8(12(16)17)4-10(13)15-11/h4-5,7,9H,6H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid?
2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 272.73 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 65048396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).