2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine

C13H14FN3O — CID 115147812

IUPAC2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine
SMILESCOc1ccc(F)cc1Nc1ncc(N)cc1C
InChIInChI=1S/C13H14FN3O/c1-8-5-10(15)7-16-13(8)17-11-6-9(14)3-4-12(11)18-2/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyJNMQRRFIAZXMLH-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.86
Rot. Bonds3

About 2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine

2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine (PubChem CID 115147812) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine
PubChem CID115147812
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine
SMILESCOc1ccc(F)cc1Nc1ncc(N)cc1C
InChIInChI=1S/C13H14FN3O/c1-8-5-10(15)7-16-13(8)17-11-6-9(14)3-4-12(11)18-2/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyJNMQRRFIAZXMLH-UHFFFAOYSA-N
XLogP2.86
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine
CID 62477222
2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine
CID 62476193
3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine
CID 62477219
4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142786
5-fluoro-N-(4-fluorophenyl)-2-methoxyaniline
CID 82537214
3-bromo-2-N-(4-fluoro-2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 104506600
2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine
CID 82857328
5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
CID 54860696
2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine
CID 114250638
2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933
N-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 82537505
2-N-(5-bromo-2-methoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 55068109

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine (CID 115147812) is 2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine is COc1ccc(F)cc1Nc1ncc(N)cc1C.
What is the InChIKey of 2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine?
The InChIKey is JNMQRRFIAZXMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-5-10(15)7-16-13(8)17-11-6-9(14)3-4-12(11)18-2/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine?
2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine has a molecular weight of 247.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-fluoro-2-methoxyphenyl)-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 115147812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).