5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine

C12H11ClFN3 — CID 114285893

IUPAC5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine
SMILESCc1cccc(F)c1Nc1c(N)cncc1Cl
InChIInChI=1S/C12H11ClFN3/c1-7-3-2-4-9(14)11(7)17-12-8(13)5-16-6-10(12)15/h2-6H,15H2,1H3,(H,16,17)
InChIKeyGBJYODCTJWRESW-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.51
Rot. Bonds2

About 5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine

5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine (PubChem CID 114285893) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine
PubChem CID114285893
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine
SMILESCc1cccc(F)c1Nc1c(N)cncc1Cl
InChIInChI=1S/C12H11ClFN3/c1-7-3-2-4-9(14)11(7)17-12-8(13)5-16-6-10(12)15/h2-6H,15H2,1H3,(H,16,17)
InChIKeyGBJYODCTJWRESW-UHFFFAOYSA-N
XLogP3.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine
CID 114285819
methyl 5-amino-3-chloro-2-(2-fluoro-6-methylanilino)benzoate
CID 107196864
5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 114285843
3-N-(2-fluoro-6-methylphenyl)-2,5-dimethylbenzene-1,3-diamine
CID 166965194
5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine
CID 154647860
4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine
CID 103963431
2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid
CID 66257062
4-N-(2,6-difluorophenyl)pyrimidine-4,5-diamine
CID 79916614
5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine
CID 66252796
4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877504
2-fluoro-N,6-dimethylaniline;hydrochloride
CID 167737520
2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide
CID 66251998

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine (CID 114285893) is 5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine is Cc1cccc(F)c1Nc1c(N)cncc1Cl.
What is the InChIKey of 5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine?
The InChIKey is GBJYODCTJWRESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-7-3-2-4-9(14)11(7)17-12-8(13)5-16-6-10(12)15/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine?
5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine has a molecular weight of 251.69 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine is sourced from PubChem (CID 114285893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).