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

C11H14ClN3O — CID 107057999

IUPAC3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile
SMILESCC(C)C(CO)Nc1nccc(C#N)c1Cl
InChIInChI=1S/C11H14ClN3O/c1-7(2)9(6-16)15-11-10(12)8(5-13)3-4-14-11/h3-4,7,9,16H,6H2,1-2H3,(H,14,15)
InChIKeyKIWQCESSFDKMAP-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.04
Rot. Bonds4

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

3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile (PubChem CID 107057999) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile
PubChem CID107057999
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile
SMILESCC(C)C(CO)Nc1nccc(C#N)c1Cl
InChIInChI=1S/C11H14ClN3O/c1-7(2)9(6-16)15-11-10(12)8(5-13)3-4-14-11/h3-4,7,9,16H,6H2,1-2H3,(H,14,15)
InChIKeyKIWQCESSFDKMAP-UHFFFAOYSA-N
XLogP2.04
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
3-chloro-2-(5-hydroxypentan-2-ylamino)pyridine-4-carbonitrile
CID 107058066
3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile
CID 107058460
2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide
CID 107057196
2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061307
3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107057219
3-chloro-2-(hex-5-yn-3-ylamino)pyridine-4-carbonitrile
CID 107058411
2-[1-(2-aminophenyl)ethylamino]-3-chloropyridine-4-carbonitrile
CID 107061450
3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
CID 107056741
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]quinoline-3-carbonitrile
CID 79250182
3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol
CID 83063931
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile (CID 107057999) is 3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile is CC(C)C(CO)Nc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile?
The InChIKey is KIWQCESSFDKMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-7(2)9(6-16)15-11-10(12)8(5-13)3-4-14-11/h3-4,7,9,16H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile?
3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile has a molecular weight of 239.71 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).