3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile

C11H14ClN3O — CID 107058460

IUPAC3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile
SMILESCCC(CCO)Nc1nccc(C#N)c1Cl
InChIInChI=1S/C11H14ClN3O/c1-2-9(4-6-16)15-11-10(12)8(7-13)3-5-14-11/h3,5,9,16H,2,4,6H2,1H3,(H,14,15)
InChIKeySPVFMYZHKNEZQW-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.18
Rot. Bonds5

About 3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile

3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile (PubChem CID 107058460) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile
PubChem CID107058460
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile
SMILESCCC(CCO)Nc1nccc(C#N)c1Cl
InChIInChI=1S/C11H14ClN3O/c1-2-9(4-6-16)15-11-10(12)8(7-13)3-5-14-11/h3,5,9,16H,2,4,6H2,1H3,(H,14,15)
InChIKeySPVFMYZHKNEZQW-UHFFFAOYSA-N
XLogP2.18
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(hex-5-yn-3-ylamino)pyridine-4-carbonitrile
CID 107058411
3-chloro-2-(5-hydroxypentan-2-ylamino)pyridine-4-carbonitrile
CID 107058066
3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile
CID 107057999
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide
CID 107057196
2-[1-(2-aminophenyl)ethylamino]-3-chloropyridine-4-carbonitrile
CID 107061450
5-chloro-4-(1-hydroxypentan-3-ylamino)-1H-pyrimidin-6-one
CID 136977293
3-(furo[3,2-c]pyridin-4-ylamino)pentan-1-ol
CID 103703374
5-fluoro-2-(1-hydroxypentan-3-ylamino)benzonitrile
CID 115657750
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 113240568
3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107057219
3-(hexan-3-ylamino)pyridazine-4-carbonitrile
CID 80509692

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile (CID 107058460) is 3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile is CCC(CCO)Nc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile?
The InChIKey is SPVFMYZHKNEZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-2-9(4-6-16)15-11-10(12)8(7-13)3-5-14-11/h3,5,9,16H,2,4,6H2,1H3,(H,14,15).
What are the key properties of 3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile?
3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile has a molecular weight of 239.71 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 107058460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).