(2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone

C13H9F3N2O — CID 107935421

IUPAC(2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone
SMILESCc1ccnc(N)c1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H9F3N2O/c1-6-4-5-18-13(17)9(6)12(19)7-2-3-8(14)11(16)10(7)15/h2-5H,1H3,(H2,17,18)
InChIKeyIKURBRWFPABURW-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.62
Rot. Bonds2

About (2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone

(2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 107935421) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is (2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID107935421
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name(2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone
SMILESCc1ccnc(N)c1C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H9F3N2O/c1-6-4-5-18-13(17)9(6)12(19)7-2-3-8(14)11(16)10(7)15/h2-5H,1H3,(H2,17,18)
InChIKeyIKURBRWFPABURW-UHFFFAOYSA-N
XLogP2.62
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 141431746
(2-amino-4-methyl-3-pyridinyl)-(2-ethoxyphenyl)methanone
CID 113330341
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795
(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749848
(2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103449954
1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone
CID 82803269
(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 114972600
2-amino-4-fluoropyridine-3-carbonyl chloride
CID 130868454
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 114971655
[4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone
CID 116603035
(2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
CID 79074631
2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114017886

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone (CID 107935421) is (2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone is Cc1ccnc(N)c1C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of (2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is IKURBRWFPABURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c1-6-4-5-18-13(17)9(6)12(19)7-2-3-8(14)11(16)10(7)15/h2-5H,1H3,(H2,17,18).
What are the key properties of (2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone?
(2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 266.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 107935421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).