(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone

C13H11FN2O — CID 116605281

IUPAC(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(N)cn2)ccc1F
InChIInChI=1S/C13H11FN2O/c1-8-6-9(2-4-11(8)14)13(17)12-5-3-10(15)7-16-12/h2-7H,15H2,1H3
InChIKeyOKUXCTXGZIKFNS-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.34
Rot. Bonds2

About (5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone

(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 116605281) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID116605281
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(N)cn2)ccc1F
InChIInChI=1S/C13H11FN2O/c1-8-6-9(2-4-11(8)14)13(17)12-5-3-10(15)7-16-12/h2-7H,15H2,1H3
InChIKeyOKUXCTXGZIKFNS-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

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Related Compounds

(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
CID 107128378
(5-amino-2-pyridinyl)-(4-chloro-2-fluorophenyl)methanone
CID 116605357
(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736594
(5-amino-2-pyridinyl)-(4-ethylphenyl)methanone
CID 116605339
(5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone
CID 116605258
(5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone
CID 116605219
(5-amino-2-pyridinyl)-(2-methylphenyl)methanone
CID 116605299
(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone
CID 62789749
(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone
CID 107559897
(4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone
CID 59627490
(4-fluoro-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 82081761
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 116585268

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone (CID 116605281) is (5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)c2ccc(N)cn2)ccc1F.
What is the InChIKey of (5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is OKUXCTXGZIKFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-8-6-9(2-4-11(8)14)13(17)12-5-3-10(15)7-16-12/h2-7H,15H2,1H3.
What are the key properties of (5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone?
(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)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 (5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 116605281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).