3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile

C12H16ClN3O — CID 106290624

IUPAC3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile
SMILESCCCC(C)(O)CNc1nccc(C#N)c1Cl
InChIInChI=1S/C12H16ClN3O/c1-3-5-12(2,17)8-16-11-10(13)9(7-14)4-6-15-11/h4,6,17H,3,5,8H2,1-2H3,(H,15,16)
InChIKeyNJKQONZHBSIPEZ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.57
Rot. Bonds5

About 3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile

3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile (PubChem CID 106290624) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile
PubChem CID106290624
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile
SMILESCCCC(C)(O)CNc1nccc(C#N)c1Cl
InChIInChI=1S/C12H16ClN3O/c1-3-5-12(2,17)8-16-11-10(13)9(7-14)4-6-15-11/h4,6,17H,3,5,8H2,1-2H3,(H,15,16)
InChIKeyNJKQONZHBSIPEZ-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
3-chloro-2-(prop-2-enylamino)pyridine-4-carbonitrile
CID 107056845
5-chloro-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819393
3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridazine-4-carbonitrile
CID 106254321
2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061307
3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile
CID 107058420
3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 107057599
3-amino-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carbonitrile
CID 114163186
3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile
CID 106141918
3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile
CID 107057828
N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 107056968
3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057587

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile (CID 106290624) is 3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile is CCCC(C)(O)CNc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile?
The InChIKey is NJKQONZHBSIPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-3-5-12(2,17)8-16-11-10(13)9(7-14)4-6-15-11/h4,6,17H,3,5,8H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile has a molecular weight of 253.73 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 106290624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).