4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine

C12H9F3N2 — CID 115503101

IUPAC4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine
SMILESCc1cc(N)ncc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C12H9F3N2/c1-6-2-12(16)17-5-8(6)7-3-10(14)11(15)4-9(7)13/h2-5H,1H3,(H2,16,17)
InChIKeyQAMSAVFINBBTGE-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.06
Rot. Bonds1

About 4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine

4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine (PubChem CID 115503101) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine
PubChem CID115503101
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine
SMILESCc1cc(N)ncc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C12H9F3N2/c1-6-2-12(16)17-5-8(6)7-3-10(14)11(15)4-9(7)13/h2-5H,1H3,(H2,16,17)
InChIKeyQAMSAVFINBBTGE-UHFFFAOYSA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine?
The IUPAC name of 4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine (CID 115503101) is 4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine?
The canonical SMILES for 4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine is Cc1cc(N)ncc1-c1cc(F)c(F)cc1F.
What is the InChIKey of 4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine?
The InChIKey is QAMSAVFINBBTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c1-6-2-12(16)17-5-8(6)7-3-10(14)11(15)4-9(7)13/h2-5H,1H3,(H2,16,17).
What are the key properties of 4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine?
4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine has a molecular weight of 238.21 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine is sourced from PubChem (CID 115503101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).