5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine

C13H16BrF2N — CID 161196354

IUPAC5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine
SMILESCc1cc(CC2CCCCC2(F)F)ncc1Br
InChIInChI=1S/C13H16BrF2N/c1-9-6-11(17-8-12(9)14)7-10-4-2-3-5-13(10,15)16/h6,8,10H,2-5,7H2,1H3
InChIKeyUUJVQIQOSWFFGX-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.52
Rot. Bonds2

About 5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine

5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine (PubChem CID 161196354) has the molecular formula C13H16BrF2N and a molecular weight of 304.18 g/mol. Its IUPAC name is 5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine
PubChem CID161196354
Molecular FormulaC13H16BrF2N
Molecular Weight304.18 g/mol
Exact Mass303.04
IUPAC Name5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine
SMILESCc1cc(CC2CCCCC2(F)F)ncc1Br
InChIInChI=1S/C13H16BrF2N/c1-9-6-11(17-8-12(9)14)7-10-4-2-3-5-13(10,15)16/h6,8,10H,2-5,7H2,1H3
InChIKeyUUJVQIQOSWFFGX-UHFFFAOYSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine?
The IUPAC name of 5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine (CID 161196354) is 5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine?
The canonical SMILES for 5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine is Cc1cc(CC2CCCCC2(F)F)ncc1Br.
What is the InChIKey of 5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine?
The InChIKey is UUJVQIQOSWFFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2N/c1-9-6-11(17-8-12(9)14)7-10-4-2-3-5-13(10,15)16/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine?
5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine has a molecular weight of 304.18 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2,2-difluorocyclohexyl)methyl]-4-methylpyridine is sourced from PubChem (CID 161196354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).