3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile

C12H14ClN3O — CID 133495324

IUPAC3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile
SMILESN#Cc1nc(N[C@H]2CCCC[C@@H]2O)ccc1Cl
InChIInChI=1S/C12H14ClN3O/c13-8-5-6-12(16-10(8)7-14)15-9-3-1-2-4-11(9)17/h5-6,9,11,17H,1-4H2,(H,15,16)/t9-,11-/m0/s1
InChIKeyCICWNXONVSVWQG-ONGXEEELSA-N
MW251.72 g/mol
LogP2.32
Rot. Bonds2

About 3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile

3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile (PubChem CID 133495324) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile
PubChem CID133495324
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile
SMILESN#Cc1nc(N[C@H]2CCCC[C@@H]2O)ccc1Cl
InChIInChI=1S/C12H14ClN3O/c13-8-5-6-12(16-10(8)7-14)15-9-3-1-2-4-11(9)17/h5-6,9,11,17H,1-4H2,(H,15,16)/t9-,11-/m0/s1
InChIKeyCICWNXONVSVWQG-ONGXEEELSA-N
XLogP2.32
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-Chloropyridin-2-yl)amino]cyclohexan-1-ol
CID 28555961
3-Chloro-6-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-2-carbonitrile
CID 71871139
3-Chloro-6-[3-(oxan-4-yloxy)propylamino]pyridine-2-carbonitrile
CID 72120093
(2S)-1-[(5-chloro-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)propan-2-ol
CID 129610968
2-[[5-Chloro-6-(trifluoromethyl)pyridin-2-yl]amino]ethanol
CID 156402022
rel-(1R,2R)-2-[(6-Methyl-2-pyridinyl)amino]cyclohexanol
CID 94415140
2-[[6-(Trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol
CID 62358521
2-[(6-Fluoro-2-pyridinyl)amino]cyclohexan-1-ol
CID 62360752
3-Chloro-6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carbonitrile
CID 75534675
2-[(2-Hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966304
2-[(5-Chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol
CID 79727634
trans-(1S,2S)-2-[(6-fluoro-2-pyridinyl)amino]cyclohexan-1-ol
CID 94415690

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile (CID 133495324) is 3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile is N#Cc1nc(N[C@H]2CCCC[C@@H]2O)ccc1Cl.
What is the InChIKey of 3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile?
The InChIKey is CICWNXONVSVWQG-ONGXEEELSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-8-5-6-12(16-10(8)7-14)15-9-3-1-2-4-11(9)17/h5-6,9,11,17H,1-4H2,(H,15,16)/t9-,11-/m0/s1.
What are the key properties of 3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile?
3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile has a molecular weight of 251.72 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133495324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).