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

C12H9F4N3 — CID 107647069

IUPAC2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine
SMILESCNc1cc(Nc2c(F)c(F)cc(F)c2F)ccn1
InChIInChI=1S/C12H9F4N3/c1-17-9-4-6(2-3-18-9)19-12-10(15)7(13)5-8(14)11(12)16/h2-5H,1H3,(H2,17,18,19)
InChIKeyOCVNGNRMQDFVEH-UHFFFAOYSA-N
MW271.22 g/mol
LogP3.42
Rot. Bonds3

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

2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine (PubChem CID 107647069) has the molecular formula C12H9F4N3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine
PubChem CID107647069
Molecular FormulaC12H9F4N3
Molecular Weight271.22 g/mol
Exact Mass271.07
IUPAC Name2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine
SMILESCNc1cc(Nc2c(F)c(F)cc(F)c2F)ccn1
InChIInChI=1S/C12H9F4N3/c1-17-9-4-6(2-3-18-9)19-12-10(15)7(13)5-8(14)11(12)16/h2-5H,1H3,(H2,17,18,19)
InChIKeyOCVNGNRMQDFVEH-UHFFFAOYSA-N
XLogP3.42
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 53.42
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

2,2'-Dipyridylamine
CID 14547
N-2-Pyridylaniline
CID 81130
N-Phenyl-N'-2-pyridinylurea
CID 221427
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
1-Phenyl-3-(2-pyridyl)thiourea
CID 701009
2-Pyridinamine, N-methyl-
CID 20727
Urea, 1-cyclohexyl-3-(2-pyridyl)-2-thio-
CID 721803
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
1-Phenyl-3-(4-pyridyl)urea
CID 4074688
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
Thiourea, N-(2-(2,6-difluorophenyl)ethyl)-N'-(5-methyl-2-pyridinyl)-
CID 3001122

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine (CID 107647069) is 2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine is CNc1cc(Nc2c(F)c(F)cc(F)c2F)ccn1.
What is the InChIKey of 2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine?
The InChIKey is OCVNGNRMQDFVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3/c1-17-9-4-6(2-3-18-9)19-12-10(15)7(13)5-8(14)11(12)16/h2-5H,1H3,(H2,17,18,19).
What are the key properties of 2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine?
2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine has a molecular weight of 271.22 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine is sourced from PubChem (CID 107647069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).