[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone

C14H11F2NO3 — CID 118819250

IUPAC[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone
SMILESCOc1ccc(C(=O)c2ccccn2)c(OC(F)F)c1
InChIInChI=1S/C14H11F2NO3/c1-19-9-5-6-10(12(8-9)20-14(15)16)13(18)11-4-2-3-7-17-11/h2-8,14H,1H3
InChIKeyUAMQSOUPVRHOOJ-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.92
Rot. Bonds5

About [2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone

[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone (PubChem CID 118819250) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is [2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone
PubChem CID118819250
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone
SMILESCOc1ccc(C(=O)c2ccccn2)c(OC(F)F)c1
InChIInChI=1S/C14H11F2NO3/c1-19-9-5-6-10(12(8-9)20-14(15)16)13(18)11-4-2-3-7-17-11/h2-8,14H,1H3
InChIKeyUAMQSOUPVRHOOJ-UHFFFAOYSA-N
XLogP2.92
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802816
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone
CID 118847469
[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone
CID 118836241
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118825090
(2,4-dimethoxyphenyl)-(6-pyridin-2-yl-2-pyridinyl)methanone
CID 135252418
[3-chloro-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847905
[2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone
CID 118836198
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
[3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118825202
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone?
The IUPAC name of [2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone (CID 118819250) is [2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone is COc1ccc(C(=O)c2ccccn2)c(OC(F)F)c1.
What is the InChIKey of [2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone?
The InChIKey is UAMQSOUPVRHOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c1-19-9-5-6-10(12(8-9)20-14(15)16)13(18)11-4-2-3-7-17-11/h2-8,14H,1H3.
What are the key properties of [2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone?
[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone has a molecular weight of 279.24 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118819250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).