6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile

C13H14F2N2 — CID 167959161

IUPAC6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2CCCCC(F)(F)C2)nc1
InChIInChI=1S/C13H14F2N2/c14-13(15)6-2-1-3-11(7-13)12-5-4-10(8-16)9-17-12/h4-5,9,11H,1-3,6-7H2
InChIKeyJXWZJGDVYVZPFW-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.64
Rot. Bonds1

About 6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile

6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile (PubChem CID 167959161) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile
PubChem CID167959161
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2CCCCC(F)(F)C2)nc1
InChIInChI=1S/C13H14F2N2/c14-13(15)6-2-1-3-11(7-13)12-5-4-10(8-16)9-17-12/h4-5,9,11H,1-3,6-7H2
InChIKeyJXWZJGDVYVZPFW-UHFFFAOYSA-N
XLogP3.64
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile
CID 90890322
6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115022328
6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile
CID 155956863
6-imidazolidin-2-ylpyridine-3-carbonitrile
CID 70037245
6-[(4,4-difluorocyclohexyl)-methylamino]pyridine-3-carbonitrile
CID 170765180
6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile
CID 174274469
6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
CID 115017325
6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 113233892
6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile
CID 139631047
6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 136574445
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 106525265

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile (CID 167959161) is 6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile is N#Cc1ccc(C2CCCCC(F)(F)C2)nc1.
What is the InChIKey of 6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile?
The InChIKey is JXWZJGDVYVZPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c14-13(15)6-2-1-3-11(7-13)12-5-4-10(8-16)9-17-12/h4-5,9,11H,1-3,6-7H2.
What are the key properties of 6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile?
6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile has a molecular weight of 236.26 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluorocycloheptyl)pyridine-3-carbonitrile is sourced from PubChem (CID 167959161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).