5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile

C14H15ClF3N3 — CID 171691304

IUPAC5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1nc(N2CCCC(C(F)(F)F)C2)c(C#N)c(C)c1Cl
InChIInChI=1S/C14H15ClF3N3/c1-8-11(6-19)13(20-9(2)12(8)15)21-5-3-4-10(7-21)14(16,17)18/h10H,3-5,7H2,1-2H3
InChIKeyPOMQIPRXCXFQDU-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.00
Rot. Bonds1

About 5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile

5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 171691304) has the molecular formula C14H15ClF3N3 and a molecular weight of 317.74 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID171691304
Molecular FormulaC14H15ClF3N3
Molecular Weight317.74 g/mol
Exact Mass317.09
IUPAC Name5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1nc(N2CCCC(C(F)(F)F)C2)c(C#N)c(C)c1Cl
InChIInChI=1S/C14H15ClF3N3/c1-8-11(6-19)13(20-9(2)12(8)15)21-5-3-4-10(7-21)14(16,17)18/h10H,3-5,7H2,1-2H3
InChIKeyPOMQIPRXCXFQDU-UHFFFAOYSA-N
XLogP4.00
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4,6-dimethyl-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172902318
5-chloro-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 171998445
2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine
CID 114271950
3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 80510057
methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444578
4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile
CID 135110937
2,3-diamino-6-[3-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 67958270
3-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 107106996
5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 155800186
2-[3-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 60677832
5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 172880679
3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 63091576

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile (CID 171691304) is 5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile is Cc1nc(N2CCCC(C(F)(F)F)C2)c(C#N)c(C)c1Cl.
What is the InChIKey of 5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is POMQIPRXCXFQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3/c1-8-11(6-19)13(20-9(2)12(8)15)21-5-3-4-10(7-21)14(16,17)18/h10H,3-5,7H2,1-2H3.
What are the key properties of 5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile?
5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 317.74 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 171691304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).