5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine

C12H8F3IN2 — CID 141300072

IUPAC5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine
SMILESCc1cc(I)cnc1Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H8F3IN2/c1-6-4-7(16)5-17-12(6)18-9-3-2-8(13)10(14)11(9)15/h2-5H,1H3,(H,17,18)
InChIKeyNOJBZICPAZAXJG-UHFFFAOYSA-N
MW364.11 g/mol
LogP4.16
Rot. Bonds2

About 5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine

5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine (PubChem CID 141300072) has the molecular formula C12H8F3IN2 and a molecular weight of 364.11 g/mol. Its IUPAC name is 5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine
PubChem CID141300072
Molecular FormulaC12H8F3IN2
Molecular Weight364.11 g/mol
Exact Mass363.97
IUPAC Name5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine
SMILESCc1cc(I)cnc1Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H8F3IN2/c1-6-4-7(16)5-17-12(6)18-9-3-2-8(13)10(14)11(9)15/h2-5H,1H3,(H,17,18)
InChIKeyNOJBZICPAZAXJG-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.11
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320354
2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine
CID 62477222
4-methyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-diamine
CID 62590138
3,5-dichloro-6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine
CID 102762192
2-N-(4-chloro-2-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904048
4-fluoro-5-iodo-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 66100059
2,3-difluoro-N-(4-iodo-2-methylphenyl)-6-(1H-1,2,4-triazol-5-yl)aniline
CID 141030563
5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine
CID 43306651
3-N-(2,3,4-trifluorophenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964950
N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875231
5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292117
N-(2-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109241729

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine?
The IUPAC name of 5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine (CID 141300072) is 5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine.
What is the SMILES notation for 5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine?
The canonical SMILES for 5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine is Cc1cc(I)cnc1Nc1ccc(F)c(F)c1F.
What is the InChIKey of 5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine?
The InChIKey is NOJBZICPAZAXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3IN2/c1-6-4-7(16)5-17-12(6)18-9-3-2-8(13)10(14)11(9)15/h2-5H,1H3,(H,17,18).
What are the key properties of 5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine?
5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine has a molecular weight of 364.11 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methyl-N-(2,3,4-trifluorophenyl)pyridin-2-amine is sourced from PubChem (CID 141300072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).