1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol

C11H12BrF2NO — CID 170785516

IUPAC1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol
SMILESOC1(c2cc(Br)ccn2)CCC(F)(F)CC1
InChIInChI=1S/C11H12BrF2NO/c12-8-1-6-15-9(7-8)10(16)2-4-11(13,14)5-3-10/h1,6-7,16H,2-5H2
InChIKeyRGXDEHOIIAZSCF-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.24
Rot. Bonds1

About 1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol

1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol (PubChem CID 170785516) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is 1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol
PubChem CID170785516
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol
SMILESOC1(c2cc(Br)ccn2)CCC(F)(F)CC1
InChIInChI=1S/C11H12BrF2NO/c12-8-1-6-15-9(7-8)10(16)2-4-11(13,14)5-3-10/h1,6-7,16H,2-5H2
InChIKeyRGXDEHOIIAZSCF-UHFFFAOYSA-N
XLogP3.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol?
The IUPAC name of 1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol (CID 170785516) is 1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol?
The canonical SMILES for 1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol is OC1(c2cc(Br)ccn2)CCC(F)(F)CC1.
What is the InChIKey of 1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol?
The InChIKey is RGXDEHOIIAZSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c12-8-1-6-15-9(7-8)10(16)2-4-11(13,14)5-3-10/h1,6-7,16H,2-5H2.
What are the key properties of 1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol?
1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol has a molecular weight of 292.12 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-pyridinyl)-4,4-difluorocyclohexan-1-ol is sourced from PubChem (CID 170785516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).