[2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone

C13H10F2N2O — CID 134627387

IUPAC[2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
SMILESNc1cc(C(F)F)ccc1C(=O)c1ccncc1
InChIInChI=1S/C13H10F2N2O/c14-13(15)9-1-2-10(11(16)7-9)12(18)8-3-5-17-6-4-8/h1-7,13H,16H2
InChIKeyNSGTZCGWHNFEPM-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.83
Rot. Bonds3

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

[2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone (PubChem CID 134627387) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is [2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
PubChem CID134627387
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name[2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
SMILESNc1cc(C(F)F)ccc1C(=O)c1ccncc1
InChIInChI=1S/C13H10F2N2O/c14-13(15)9-1-2-10(11(16)7-9)12(18)8-3-5-17-6-4-8/h1-7,13H,16H2
InChIKeyNSGTZCGWHNFEPM-UHFFFAOYSA-N
XLogP2.83
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone
CID 118829696
[2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627417
[3-amino-4-(pyridine-4-carbonyl)phenyl]-pyridin-4-ylmethanone
CID 176900459
(2-amino-4-methylphenyl)-pyridin-4-ylmethanone
CID 69388421
[5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone
CID 134627644
[2-amino-5-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627389
[4-amino-3-(difluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627616
(4-bromo-3-chloro-2-fluorophenyl)-pyridin-4-ylmethanone
CID 106761695
[3-amino-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627485
(4-amino-3-pyridinyl)-(4-fluorophenyl)methanone
CID 11074797
pyridin-4-yl-(2,3,4-trimethylphenyl)methanone
CID 157331171
2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide
CID 141115220

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone?
The IUPAC name of [2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone (CID 134627387) is [2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone is Nc1cc(C(F)F)ccc1C(=O)c1ccncc1.
What is the InChIKey of [2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone?
The InChIKey is NSGTZCGWHNFEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c14-13(15)9-1-2-10(11(16)7-9)12(18)8-3-5-17-6-4-8/h1-7,13H,16H2.
What are the key properties of [2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone?
[2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone has a molecular weight of 248.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 134627387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).