2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile

C12H16ClN3O — CID 106352536

IUPAC2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile
SMILESCC(C)C(CCO)Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O/c1-8(2)10(3-4-17)15-12-6-9(7-14)5-11(13)16-12/h5-6,8,10,17H,3-4H2,1-2H3,(H,15,16)
InChIKeyKZESRIGAHLWYTM-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.43
Rot. Bonds5

About 2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile

2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile (PubChem CID 106352536) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile
PubChem CID106352536
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile
SMILESCC(C)C(CCO)Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O/c1-8(2)10(3-4-17)15-12-6-9(7-14)5-11(13)16-12/h5-6,8,10,17H,3-4H2,1-2H3,(H,15,16)
InChIKeyKZESRIGAHLWYTM-UHFFFAOYSA-N
XLogP2.43
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.43
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-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile
CID 83073128
2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
CID 83072944
3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703947
2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide
CID 83073416
2-chloro-6-(3-hydroxybutylamino)pyridine-4-carbonitrile
CID 83077171
2-chloro-6-[5-(diethylamino)pentan-2-ylamino]pyridine-4-carbonitrile
CID 83073411
2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766557
2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 114765995
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114177062
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352561
2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114770092
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
CID 83072956

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile (CID 106352536) is 2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile is CC(C)C(CCO)Nc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile?
The InChIKey is KZESRIGAHLWYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8(2)10(3-4-17)15-12-6-9(7-14)5-11(13)16-12/h5-6,8,10,17H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile?
2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile has a molecular weight of 253.73 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 106352536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).