[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone

C13H10F2N2O2 — CID 134622086

IUPAC[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
SMILESNc1ccc(C(=O)c2cccnc2)c(OC(F)F)c1
InChIInChI=1S/C13H10F2N2O2/c14-13(15)19-11-6-9(16)3-4-10(11)12(18)8-2-1-5-17-7-8/h1-7,13H,16H2
InChIKeyBJQAPCKGOLBKNY-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.50
Rot. Bonds4

About [4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone

[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone (PubChem CID 134622086) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is [4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
PubChem CID134622086
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
SMILESNc1ccc(C(=O)c2cccnc2)c(OC(F)F)c1
InChIInChI=1S/C13H10F2N2O2/c14-13(15)19-11-6-9(16)3-4-10(11)12(18)8-2-1-5-17-7-8/h1-7,13H,16H2
InChIKeyBJQAPCKGOLBKNY-UHFFFAOYSA-N
XLogP2.50
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802816
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134621435
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185
[2-(difluoromethoxy)-6-hydroxyphenyl]-pyridin-3-ylmethanone
CID 134621157
[2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134621330
[2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone
CID 134621166
[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622134
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone
CID 134621203
4-chloro-2-(pyridine-3-carbonyl)benzamide
CID 68547822
[2-amino-5-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627389

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone (CID 134622086) is [4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone is Nc1ccc(C(=O)c2cccnc2)c(OC(F)F)c1.
What is the InChIKey of [4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone?
The InChIKey is BJQAPCKGOLBKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-13(15)19-11-6-9(16)3-4-10(11)12(18)8-2-1-5-17-7-8/h1-7,13H,16H2.
What are the key properties of [4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone?
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone has a molecular weight of 264.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 134622086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).