[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone

C14H11F2NO2 — CID 118847469

IUPAC[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone
SMILESCOc1ccc(C(F)F)c(C(=O)c2ccccn2)c1
InChIInChI=1S/C14H11F2NO2/c1-19-9-5-6-10(14(15)16)11(8-9)13(18)12-4-2-3-7-17-12/h2-8,14H,1H3
InChIKeyPCWBBMVCEVCYCO-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.26
Rot. Bonds4

About [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone

[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone (PubChem CID 118847469) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone
PubChem CID118847469
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone
SMILESCOc1ccc(C(F)F)c(C(=O)c2ccccn2)c1
InChIInChI=1S/C14H11F2NO2/c1-19-9-5-6-10(14(15)16)11(8-9)13(18)12-4-2-3-7-17-12/h2-8,14H,1H3
InChIKeyPCWBBMVCEVCYCO-UHFFFAOYSA-N
XLogP3.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 134617165
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone
CID 118819250
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone
CID 134621203
3-(2,5-dimethoxyphenyl)-1,5-dipyridin-2-ylpentane-1,5-dione
CID 86186012
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
(3-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 118819424
[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone
CID 118836241
(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-one
CID 84680204
(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 118853196

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone?
The IUPAC name of [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone (CID 118847469) is [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone is COc1ccc(C(F)F)c(C(=O)c2ccccn2)c1.
What is the InChIKey of [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone?
The InChIKey is PCWBBMVCEVCYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-19-9-5-6-10(14(15)16)11(8-9)13(18)12-4-2-3-7-17-12/h2-8,14H,1H3.
What are the key properties of [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone?
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone has a molecular weight of 263.24 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118847469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).