4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine

C12H9F4N3 — CID 107643308

IUPAC4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine
SMILESCc1cc(Nc2c(F)c(F)cc(F)c2F)ncc1N
InChIInChI=1S/C12H9F4N3/c1-5-2-9(18-4-8(5)17)19-12-10(15)6(13)3-7(14)11(12)16/h2-4H,17H2,1H3,(H,18,19)
InChIKeyPAHKNBWSRUPSLC-UHFFFAOYSA-N
MW271.22 g/mol
LogP3.27
Rot. Bonds2

About 4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine

4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine (PubChem CID 107643308) has the molecular formula C12H9F4N3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine
PubChem CID107643308
Molecular FormulaC12H9F4N3
Molecular Weight271.22 g/mol
Exact Mass271.07
IUPAC Name4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine
SMILESCc1cc(Nc2c(F)c(F)cc(F)c2F)ncc1N
InChIInChI=1S/C12H9F4N3/c1-5-2-9(18-4-8(5)17)19-12-10(15)6(13)3-7(14)11(12)16/h2-4H,17H2,1H3,(H,18,19)
InChIKeyPAHKNBWSRUPSLC-UHFFFAOYSA-N
XLogP3.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
2-N-(3,4-dimethylphenyl)-4-methylpyridine-2,5-diamine
CID 79020766
4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine
CID 107643430
2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
CID 79172818
6-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,3,6-triamine
CID 107643324
N-(5-amino-4-methyl-2-pyridinyl)acetamide
CID 22063573
2-N-(2,4-dibromophenyl)-4-methylpyridine-2,5-diamine
CID 79173349
N-(5-amino-4-methyl-2-pyridinyl)-2-fluoro-4-hydroxybenzamide
CID 107674528
5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid
CID 82061059
3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine
CID 107643323
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine (CID 107643308) is 4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine is Cc1cc(Nc2c(F)c(F)cc(F)c2F)ncc1N.
What is the InChIKey of 4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine?
The InChIKey is PAHKNBWSRUPSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3/c1-5-2-9(18-4-8(5)17)19-12-10(15)6(13)3-7(14)11(12)16/h2-4H,17H2,1H3,(H,18,19).
What are the key properties of 4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine?
4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine has a molecular weight of 271.22 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 107643308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).