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

C13H14FN3O — CID 114262854

IUPAC5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2cc(F)cc(OC)c2)c1
InChIInChI=1S/C13H14FN3O/c1-15-11-5-12(8-16-7-11)17-10-3-9(14)4-13(6-10)18-2/h3-8,15,17H,1-2H3
InChIKeyAVRSXAMZSBOZAR-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.01
Rot. Bonds4

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

5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine (PubChem CID 114262854) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
PubChem CID114262854
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2cc(F)cc(OC)c2)c1
InChIInChI=1S/C13H14FN3O/c1-15-11-5-12(8-16-7-11)17-10-3-9(14)4-13(6-10)18-2/h3-8,15,17H,1-2H3
InChIKeyAVRSXAMZSBOZAR-UHFFFAOYSA-N
XLogP3.01
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-methoxy-N-methylpyridin-3-amine
CID 168998921
5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine
CID 107531788
(3-fluoro-5-methoxyphenyl)hydrazine;hydrochloride
CID 71756043
5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
CID 113424113
4-N-(3-fluoro-5-methoxyphenyl)-5-methylpyrimidine-2,4-diamine
CID 114262867
N-fluoro-5-methoxypyridin-3-amine
CID 155111247
N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine
CID 133362348
N-(3,5-dimethoxyphenyl)-3-fluoro-5-nitroaniline
CID 80752662
N-[4-(difluoromethylsulfonyl)phenyl]-3-fluoro-5-methoxyaniline
CID 133430319
5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 113423614
5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 114262908
3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
CID 141168476

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine (CID 114262854) is 5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine is CNc1cncc(Nc2cc(F)cc(OC)c2)c1.
What is the InChIKey of 5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is AVRSXAMZSBOZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-15-11-5-12(8-16-7-11)17-10-3-9(14)4-13(6-10)18-2/h3-8,15,17H,1-2H3.
What are the key properties of 5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine?
5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 247.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 114262854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).