3-bromo-5-(2,2-difluoroethoxymethyl)pyridine

C8H8BrF2NO — CID 104809944

IUPAC3-bromo-5-(2,2-difluoroethoxymethyl)pyridine
SMILESFC(F)COCc1cncc(Br)c1
InChIInChI=1S/C8H8BrF2NO/c9-7-1-6(2-12-3-7)4-13-5-8(10)11/h1-3,8H,4-5H2
InChIKeySECJJDAUYFBQOH-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.63
Rot. Bonds4

About 3-bromo-5-(2,2-difluoroethoxymethyl)pyridine

3-bromo-5-(2,2-difluoroethoxymethyl)pyridine (PubChem CID 104809944) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 3-bromo-5-(2,2-difluoroethoxymethyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(2,2-difluoroethoxymethyl)pyridine
PubChem CID104809944
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name3-bromo-5-(2,2-difluoroethoxymethyl)pyridine
SMILESFC(F)COCc1cncc(Br)c1
InChIInChI=1S/C8H8BrF2NO/c9-7-1-6(2-12-3-7)4-13-5-8(10)11/h1-3,8H,4-5H2
InChIKeySECJJDAUYFBQOH-UHFFFAOYSA-N
XLogP2.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Bromo-3-pyridinyl)methanol
CID 2784733
5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine
CID 53393182
3-Pyridinemethanol, 5-fluoro-, acetate
CID 211903
(5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate
CID 211905
3-Butenoic acid, (5-fluoro-3-pyridinyl)methyl ester
CID 211906
3-Bromo-5-(dimethoxymethyl)pyridine
CID 10059799
3-Bromo-2-methoxy-5-(trifluoromethyl)pyridine
CID 14837018
3-Bromo-2-methoxy-5-methylpyridine
CID 21952757
5-Bromo-2-methoxy-3-methylpyridine
CID 22591176
(5-Bromopyridin-3-yl)methanol hydrochloride
CID 23445112
5-Bromo-2-(difluoromethoxy)-3-methylpyridine
CID 46311532
2-Bromo-5-(methoxymethyl)pyridine
CID 53385521

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,2-difluoroethoxymethyl)pyridine?
The IUPAC name of 3-bromo-5-(2,2-difluoroethoxymethyl)pyridine (CID 104809944) is 3-bromo-5-(2,2-difluoroethoxymethyl)pyridine.
What is the SMILES notation for 3-bromo-5-(2,2-difluoroethoxymethyl)pyridine?
The canonical SMILES for 3-bromo-5-(2,2-difluoroethoxymethyl)pyridine is FC(F)COCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(2,2-difluoroethoxymethyl)pyridine?
The InChIKey is SECJJDAUYFBQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c9-7-1-6(2-12-3-7)4-13-5-8(10)11/h1-3,8H,4-5H2.
What are the key properties of 3-bromo-5-(2,2-difluoroethoxymethyl)pyridine?
3-bromo-5-(2,2-difluoroethoxymethyl)pyridine has a molecular weight of 252.06 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2,2-difluoroethoxymethyl)pyridine is sourced from PubChem (CID 104809944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).