5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine

C13H12F3N3 — CID 66278412

IUPAC5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
SMILESCc1cnc(Nc2ccc(C(F)(F)F)cc2)c(N)c1
InChIInChI=1S/C13H12F3N3/c1-8-6-11(17)12(18-7-8)19-10-4-2-9(3-5-10)13(14,15)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyINWKDUZUIVOQAN-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.73
Rot. Bonds2

About 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine

5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine (PubChem CID 66278412) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
PubChem CID66278412
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
SMILESCc1cnc(Nc2ccc(C(F)(F)F)cc2)c(N)c1
InChIInChI=1S/C13H12F3N3/c1-8-6-11(17)12(18-7-8)19-10-4-2-9(3-5-10)13(14,15)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyINWKDUZUIVOQAN-UHFFFAOYSA-N
XLogP3.73
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine (CID 66278412) is 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine is Cc1cnc(Nc2ccc(C(F)(F)F)cc2)c(N)c1.
What is the InChIKey of 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The InChIKey is INWKDUZUIVOQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-8-6-11(17)12(18-7-8)19-10-4-2-9(3-5-10)13(14,15)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine has a molecular weight of 267.25 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 66278412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).