(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone

C13H11FN2O — CID 82685315

IUPAC(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2cc(F)ccc2N)c1
InChIInChI=1S/C13H11FN2O/c1-8-4-9(7-16-6-8)13(17)11-5-10(14)2-3-12(11)15/h2-7H,15H2,1H3
InChIKeyQSCFMHQATVTTGG-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.34
Rot. Bonds2

About (2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone

(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 82685315) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
PubChem CID82685315
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2cc(F)ccc2N)c1
InChIInChI=1S/C13H11FN2O/c1-8-4-9(7-16-6-8)13(17)11-5-10(14)2-3-12(11)15/h2-7H,15H2,1H3
InChIKeyQSCFMHQATVTTGG-UHFFFAOYSA-N
XLogP2.34
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.34
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-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
(2-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373956
(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
CID 82684855
(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115374080
(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone
CID 13408104
(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
CID 116581444
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 105122775
(2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone
CID 82685218
(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116581347
(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105122790
(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone
CID 82685979
(3-fluoro-4-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373910

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone (CID 82685315) is (2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)c2cc(F)ccc2N)c1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is QSCFMHQATVTTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-8-4-9(7-16-6-8)13(17)11-5-10(14)2-3-12(11)15/h2-7H,15H2,1H3.
What are the key properties of (2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone?
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 230.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 82685315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).