[2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone

C14H11F2NO2 — CID 118836198

IUPAC[2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone
SMILESCc1cccc(C(=O)c2ccccn2)c1OC(F)F
InChIInChI=1S/C14H11F2NO2/c1-9-5-4-6-10(13(9)19-14(15)16)12(18)11-7-2-3-8-17-11/h2-8,14H,1H3
InChIKeyIZHKEAQGBULBNZ-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.22
Rot. Bonds4

About [2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone

[2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone (PubChem CID 118836198) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is [2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone
PubChem CID118836198
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name[2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone
SMILESCc1cccc(C(=O)c2ccccn2)c1OC(F)F
InChIInChI=1S/C14H11F2NO2/c1-9-5-4-6-10(13(9)19-14(15)16)12(18)11-7-2-3-8-17-11/h2-8,14H,1H3
InChIKeyIZHKEAQGBULBNZ-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847905
[3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118825202
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118825090
[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone
CID 118836241
(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 118853196
[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone
CID 118819250
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802816
(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone
CID 118836322
[2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone
CID 21264597
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide
CID 9015650
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone
CID 118847469

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone?
The IUPAC name of [2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone (CID 118836198) is [2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone is Cc1cccc(C(=O)c2ccccn2)c1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone?
The InChIKey is IZHKEAQGBULBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-9-5-4-6-10(13(9)19-14(15)16)12(18)11-7-2-3-8-17-11/h2-8,14H,1H3.
What are the key properties of [2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone?
[2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone has a molecular weight of 263.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118836198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).