3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine

C13H10BrF2NO — CID 135246459

IUPAC3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine
SMILESCC(F)(F)c1ccc(Oc2ncccc2Br)cc1
InChIInChI=1S/C13H10BrF2NO/c1-13(15,16)9-4-6-10(7-5-9)18-12-11(14)3-2-8-17-12/h2-8H,1H3
InChIKeyGIJZIUVFKHHGQT-UHFFFAOYSA-N
MW314.13 g/mol
LogP4.75
Rot. Bonds3

About 3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine

3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine (PubChem CID 135246459) has the molecular formula C13H10BrF2NO and a molecular weight of 314.13 g/mol. Its IUPAC name is 3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine.

Molecular Properties

Compound Name3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine
PubChem CID135246459
Molecular FormulaC13H10BrF2NO
Molecular Weight314.13 g/mol
Exact Mass312.99
IUPAC Name3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine
SMILESCC(F)(F)c1ccc(Oc2ncccc2Br)cc1
InChIInChI=1S/C13H10BrF2NO/c1-13(15,16)9-4-6-10(7-5-9)18-12-11(14)3-2-8-17-12/h2-8H,1H3
InChIKeyGIJZIUVFKHHGQT-UHFFFAOYSA-N
XLogP4.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine
CID 135246490
3-bromo-2-(4-butylphenoxy)pyridine
CID 115493013
3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine
CID 135246966
5-[(3-bromo-2-pyridinyl)oxy]pyridin-2-amine
CID 135246357
3-bromo-2-(3-fluorophenoxy)pyridine
CID 55139159
3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
CID 63462709
2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid
CID 61395505
3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine
CID 63462551
1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine
CID 115410866
3-bromo-2-(2-methoxyphenoxy)pyridine
CID 61375067
3-[(3-bromo-2-pyridinyl)oxy]aniline
CID 61372982
2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 175967809

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine?
The IUPAC name of 3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine (CID 135246459) is 3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine.
What is the SMILES notation for 3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine?
The canonical SMILES for 3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine is CC(F)(F)c1ccc(Oc2ncccc2Br)cc1.
What is the InChIKey of 3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine?
The InChIKey is GIJZIUVFKHHGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO/c1-13(15,16)9-4-6-10(7-5-9)18-12-11(14)3-2-8-17-12/h2-8H,1H3.
What are the key properties of 3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine?
3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine has a molecular weight of 314.13 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine is sourced from PubChem (CID 135246459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).