6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine

C9H10BrF2NO — CID 176611254

IUPAC6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine
SMILESCC(C)c1ccc(Br)nc1OC(F)F
InChIInChI=1S/C9H10BrF2NO/c1-5(2)6-3-4-7(10)13-8(6)14-9(11)12/h3-5,9H,1-2H3
InChIKeyFFMKHZSHZRSDAV-UHFFFAOYSA-N
MW266.08 g/mol
LogP3.57
Rot. Bonds3

About 6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine

6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine (PubChem CID 176611254) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is 6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine.

Molecular Properties

Compound Name6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine
PubChem CID176611254
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine
SMILESCC(C)c1ccc(Br)nc1OC(F)F
InChIInChI=1S/C9H10BrF2NO/c1-5(2)6-3-4-7(10)13-8(6)14-9(11)12/h3-5,9H,1-2H3
InChIKeyFFMKHZSHZRSDAV-UHFFFAOYSA-N
XLogP3.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-methyl-3-propan-2-ylpyridine
CID 143746105
(1S)-1-(6-bromo-2-methoxy-3-pyridinyl)ethanamine;hydrochloride
CID 169081733
5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine
CID 176611262
2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 167302491
N-[(6-bromo-2-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 115938017
4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene
CID 71127951
1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene
CID 166584162
6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine
CID 71359476
6-bromo-3-(1-fluoroethoxy)-2,4-dimethylpyridine
CID 91059530
6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine
CID 130095142
6-chloro-2-methoxy-3-propan-2-ylpyridine
CID 130325202
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine?
The IUPAC name of 6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine (CID 176611254) is 6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine.
What is the SMILES notation for 6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine?
The canonical SMILES for 6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine is CC(C)c1ccc(Br)nc1OC(F)F.
What is the InChIKey of 6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine?
The InChIKey is FFMKHZSHZRSDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-5(2)6-3-4-7(10)13-8(6)14-9(11)12/h3-5,9H,1-2H3.
What are the key properties of 6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine?
6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine has a molecular weight of 266.08 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine is sourced from PubChem (CID 176611254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).