5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine

C12H11ClFN3 — CID 107531788

IUPAC5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H11ClFN3/c1-15-9-5-10(7-16-6-9)17-12-4-8(14)2-3-11(12)13/h2-7,15,17H,1H3
InChIKeyRAJMIHVNQAOALW-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.66
Rot. Bonds3

About 5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine

5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine (PubChem CID 107531788) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine
PubChem CID107531788
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H11ClFN3/c1-15-9-5-10(7-16-6-9)17-12-4-8(14)2-3-11(12)13/h2-7,15,17H,1H3
InChIKeyRAJMIHVNQAOALW-UHFFFAOYSA-N
XLogP3.66
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 113423614
6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine
CID 107530585
5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104535476
5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104533871
4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107531896
5-N-(2,4-dimethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532337
5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532356
5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532340
5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423990
5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
CID 114262854
4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine
CID 107526809
3-N-(2-chloro-5-fluorophenyl)benzene-1,3-diamine
CID 107526846

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine (CID 107531788) is 5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine is CNc1cncc(Nc2cc(F)ccc2Cl)c1.
What is the InChIKey of 5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is RAJMIHVNQAOALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-15-9-5-10(7-16-6-9)17-12-4-8(14)2-3-11(12)13/h2-7,15,17H,1H3.
What are the key properties of 5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine?
5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 251.69 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 107531788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).