2-chloro-5-(4,4-difluorocyclohexyl)pyridine

C11H12ClF2N — CID 174780883

IUPAC2-chloro-5-(4,4-difluorocyclohexyl)pyridine
SMILESFC1(F)CCC(c2ccc(Cl)nc2)CC1
InChIInChI=1S/C11H12ClF2N/c12-10-2-1-9(7-15-10)8-3-5-11(13,14)6-4-8/h1-2,7-8H,3-6H2
InChIKeySXSHVMDQXGGVPO-UHFFFAOYSA-N
MW231.67 g/mol
LogP4.03
Rot. Bonds1

About 2-chloro-5-(4,4-difluorocyclohexyl)pyridine

2-chloro-5-(4,4-difluorocyclohexyl)pyridine (PubChem CID 174780883) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 2-chloro-5-(4,4-difluorocyclohexyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(4,4-difluorocyclohexyl)pyridine
PubChem CID174780883
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name2-chloro-5-(4,4-difluorocyclohexyl)pyridine
SMILESFC1(F)CCC(c2ccc(Cl)nc2)CC1
InChIInChI=1S/C11H12ClF2N/c12-10-2-1-9(7-15-10)8-3-5-11(13,14)6-4-8/h1-2,7-8H,3-6H2
InChIKeySXSHVMDQXGGVPO-UHFFFAOYSA-N
XLogP4.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane
CID 57485609
2-chloro-5-(3-methoxycyclopentyl)pyridine;ethane;formaldehyde
CID 143668410
5-(4,4-difluorocyclohexyl)pyridin-3-amine
CID 156574483
3-(4,4-difluorocyclohexyl)aniline
CID 115027304
N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 107595812
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613
(1S,2R,3S,4R)-3-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-2-amine
CID 155556197
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
(6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone
CID 116505677
2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine
CID 94035152
2-chloro-5-(1-propan-2-ylpyrrolidin-2-yl)pyridine
CID 102539185
(1S,2R,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11031065

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4,4-difluorocyclohexyl)pyridine?
The IUPAC name of 2-chloro-5-(4,4-difluorocyclohexyl)pyridine (CID 174780883) is 2-chloro-5-(4,4-difluorocyclohexyl)pyridine.
What is the SMILES notation for 2-chloro-5-(4,4-difluorocyclohexyl)pyridine?
The canonical SMILES for 2-chloro-5-(4,4-difluorocyclohexyl)pyridine is FC1(F)CCC(c2ccc(Cl)nc2)CC1.
What is the InChIKey of 2-chloro-5-(4,4-difluorocyclohexyl)pyridine?
The InChIKey is SXSHVMDQXGGVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c12-10-2-1-9(7-15-10)8-3-5-11(13,14)6-4-8/h1-2,7-8H,3-6H2.
What are the key properties of 2-chloro-5-(4,4-difluorocyclohexyl)pyridine?
2-chloro-5-(4,4-difluorocyclohexyl)pyridine has a molecular weight of 231.67 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4,4-difluorocyclohexyl)pyridine is sourced from PubChem (CID 174780883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).