5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine

C12H7F5N2 — CID 133086498

IUPAC5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine
SMILESCc1cc(N)cnc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H7F5N2/c1-4-2-5(18)3-19-12(4)6-7(13)9(15)11(17)10(16)8(6)14/h2-3H,18H2,1H3
InChIKeyNMWUOIWLOLGJMJ-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.33
Rot. Bonds1

About 5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine

5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine (PubChem CID 133086498) has the molecular formula C12H7F5N2 and a molecular weight of 274.19 g/mol. Its IUPAC name is 5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine
PubChem CID133086498
Molecular FormulaC12H7F5N2
Molecular Weight274.19 g/mol
Exact Mass274.05
IUPAC Name5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine
SMILESCc1cc(N)cnc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H7F5N2/c1-4-2-5(18)3-19-12(4)6-7(13)9(15)11(17)10(16)8(6)14/h2-3H,18H2,1H3
InChIKeyNMWUOIWLOLGJMJ-UHFFFAOYSA-N
XLogP3.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine
CID 170909824
6-(5-amino-2-pyridinyl)-5-methylpyridin-3-amine
CID 66662716
2,5-bis(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine
CID 133086452
5-methyl-6-methylsulfanylpyridin-3-amine
CID 62476915
5-methyl-6-(1-methyltetrazol-5-yl)pyridin-3-amine
CID 156887083
2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine
CID 70281554
5-methyl-6-(4-propylphenyl)pyridin-3-amine
CID 114049639
6-(3,4-dihydro-2H-pyran-6-yl)-5-methylpyridin-3-amine
CID 156803172
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyridin-3-amine
CID 62476569
2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine
CID 62476193
[3-(5-amino-3-methyl-2-pyridinyl)phenyl]methanol
CID 110282145
6-fluoro-5-iodopyridin-3-amine
CID 130980076

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine?
The IUPAC name of 5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine (CID 133086498) is 5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine.
What is the SMILES notation for 5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine?
The canonical SMILES for 5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine is Cc1cc(N)cnc1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine?
The InChIKey is NMWUOIWLOLGJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F5N2/c1-4-2-5(18)3-19-12(4)6-7(13)9(15)11(17)10(16)8(6)14/h2-3H,18H2,1H3.
What are the key properties of 5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine?
5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine has a molecular weight of 274.19 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine is sourced from PubChem (CID 133086498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).