2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid

C11H13ClN2O2 — CID 43533609

IUPAC2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid
SMILESCC(Nc1cc(C(=O)O)cc(Cl)n1)C1CC1
InChIInChI=1S/C11H13ClN2O2/c1-6(7-2-3-7)13-10-5-8(11(15)16)4-9(12)14-10/h4-7H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyTUGLKEUMIWAWMT-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.64
Rot. Bonds4

About 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid

2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid (PubChem CID 43533609) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid
PubChem CID43533609
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid
SMILESCC(Nc1cc(C(=O)O)cc(Cl)n1)C1CC1
InChIInChI=1S/C11H13ClN2O2/c1-6(7-2-3-7)13-10-5-8(11(15)16)4-9(12)14-10/h4-7H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyTUGLKEUMIWAWMT-UHFFFAOYSA-N
XLogP2.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
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-(1-cyclohexylethylamino)pyridine-4-carboxylic acid
CID 63538856
2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349
2-(but-3-yn-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 114417592
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-cyclopropylethylamino)pyridine-4-carbonitrile
CID 83072956
2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 82939267
6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954067
2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 65048396
2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 61477326
2-chloro-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114152086
2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 43568560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid (CID 43533609) is 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid is CC(Nc1cc(C(=O)O)cc(Cl)n1)C1CC1.
What is the InChIKey of 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid?
The InChIKey is TUGLKEUMIWAWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-6(7-2-3-7)13-10-5-8(11(15)16)4-9(12)14-10/h4-7H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid?
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid has a molecular weight of 240.69 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-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 43533609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).