2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile

C10H12ClN3 — CID 83072944

IUPAC2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
SMILESCCC(C)Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C10H12ClN3/c1-3-7(2)13-10-5-8(6-12)4-9(11)14-10/h4-5,7H,3H2,1-2H3,(H,13,14)
InChIKeyREVJSJQNVVCDEB-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.82
Rot. Bonds3

About 2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile

2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile (PubChem CID 83072944) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
PubChem CID83072944
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
SMILESCCC(C)Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C10H12ClN3/c1-3-7(2)13-10-5-8(6-12)4-9(11)14-10/h4-5,7H,3H2,1-2H3,(H,13,14)
InChIKeyREVJSJQNVVCDEB-UHFFFAOYSA-N
XLogP2.82
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.82
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-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile
CID 83073411
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile
CID 106352536
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
CID 83072956
2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile
CID 83073128
2-chloro-6-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83074609
2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide
CID 83073416
2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349
2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113408047
2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83073840
2-chloro-6-(3-hydroxybutylamino)pyridine-4-carbonitrile
CID 83077171
2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile
CID 130839313

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile (CID 83072944) is 2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile is CCC(C)Nc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile?
The InChIKey is REVJSJQNVVCDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-3-7(2)13-10-5-8(6-12)4-9(11)14-10/h4-5,7H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile?
2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile has a molecular weight of 209.68 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile is sourced from PubChem (CID 83072944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).