2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine

C7H10F3N3 — CID 139433951

IUPAC2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine
SMILESCC1(N)NC=C(C(F)(F)F)C=C1N
InChIInChI=1S/C7H10F3N3/c1-6(12)5(11)2-4(3-13-6)7(8,9)10/h2-3,13H,11-12H2,1H3
InChIKeyOWXIIBJIPZLBJC-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.55
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine

2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine (PubChem CID 139433951) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine
PubChem CID139433951
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine
SMILESCC1(N)NC=C(C(F)(F)F)C=C1N
InChIInChI=1S/C7H10F3N3/c1-6(12)5(11)2-4(3-13-6)7(8,9)10/h2-3,13H,11-12H2,1H3
InChIKeyOWXIIBJIPZLBJC-UHFFFAOYSA-N
XLogP0.55
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine (CID 139433951) is 2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine is CC1(N)NC=C(C(F)(F)F)C=C1N.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine?
The InChIKey is OWXIIBJIPZLBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-6(12)5(11)2-4(3-13-6)7(8,9)10/h2-3,13H,11-12H2,1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine?
2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine has a molecular weight of 193.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine is sourced from PubChem (CID 139433951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).