2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine

C13H14FN3O — CID 43261717

IUPAC2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(Nc2ccc(C)cc2F)ccc1N
InChIInChI=1S/C13H14FN3O/c1-8-3-5-11(9(14)7-8)16-12-6-4-10(15)13(17-12)18-2/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyPRCMXLFXVCPITF-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.86
Rot. Bonds3

About 2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine

2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine (PubChem CID 43261717) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine
PubChem CID43261717
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(Nc2ccc(C)cc2F)ccc1N
InChIInChI=1S/C13H14FN3O/c1-8-3-5-11(9(14)7-8)16-12-6-4-10(15)13(17-12)18-2/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyPRCMXLFXVCPITF-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-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine
CID 54954761
6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine
CID 62808949
6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine
CID 80646846
2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine
CID 43450982
2-N-(3,5-dimethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261435
2-N-(3,5-dichlorophenyl)-6-methoxypyridine-2,5-diamine
CID 43261448
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine
CID 43261475
N-(2-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 91756465
6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 43261406
2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43261762
methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate
CID 114059713
2-N-(4-chloro-2-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
CID 63402719

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine (CID 43261717) is 2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine is COc1nc(Nc2ccc(C)cc2F)ccc1N.
What is the InChIKey of 2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine?
The InChIKey is PRCMXLFXVCPITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-3-5-11(9(14)7-8)16-12-6-4-10(15)13(17-12)18-2/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine?
2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-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-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine is sourced from PubChem (CID 43261717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).