[2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone

C13H10F2N2O — CID 118808095

IUPAC[2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
SMILESNc1cccc(C(F)F)c1C(=O)c1ccccn1
InChIInChI=1S/C13H10F2N2O/c14-13(15)8-4-3-5-9(16)11(8)12(18)10-6-1-2-7-17-10/h1-7,13H,16H2
InChIKeyHSZUMFUTNLRVBY-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.83
Rot. Bonds3

About [2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone

[2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone (PubChem CID 118808095) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is [2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
PubChem CID118808095
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name[2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
SMILESNc1cccc(C(F)F)c1C(=O)c1ccccn1
InChIInChI=1S/C13H10F2N2O/c14-13(15)8-4-3-5-9(16)11(8)12(18)10-6-1-2-7-17-10/h1-7,13H,16H2
InChIKeyHSZUMFUTNLRVBY-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

(2-amino-6-chlorophenyl)-pyridin-2-ylmethanone
CID 118847428
(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 118853196
[5-bromo-2-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 134617165
(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone
CID 118847469
(2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone
CID 118802407
(2-amino-3-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118841909
(2Z)-2-hydroxyimino-2-pyridin-2-ylacetamide
CID 140560701
CID 173156131
CID 173156131
[3-amino-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802654
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802816
(3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone
CID 142091739

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone?
The IUPAC name of [2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone (CID 118808095) is [2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone is Nc1cccc(C(F)F)c1C(=O)c1ccccn1.
What is the InChIKey of [2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone?
The InChIKey is HSZUMFUTNLRVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c14-13(15)8-4-3-5-9(16)11(8)12(18)10-6-1-2-7-17-10/h1-7,13H,16H2.
What are the key properties of [2-amino-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone?
[2-amino-6-(difluoromethyl)phenyl]-pyridin-2-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-6-(difluoromethyl)phenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118808095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).