4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine

C12H12FN3O — CID 118027357

IUPAC4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine
SMILESCOc1ccc(Nc2ccncc2N)c(F)c1
InChIInChI=1S/C12H12FN3O/c1-17-8-2-3-11(9(13)6-8)16-12-4-5-15-7-10(12)14/h2-7H,14H2,1H3,(H,15,16)
InChIKeyIPJPZLDGJPVABS-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.56
Rot. Bonds3

About 4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine

4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine (PubChem CID 118027357) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine
PubChem CID118027357
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine
SMILESCOc1ccc(Nc2ccncc2N)c(F)c1
InChIInChI=1S/C12H12FN3O/c1-17-8-2-3-11(9(13)6-8)16-12-4-5-15-7-10(12)14/h2-7H,14H2,1H3,(H,15,16)
InChIKeyIPJPZLDGJPVABS-UHFFFAOYSA-N
XLogP2.56
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13287152
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 55130091
3-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13441292
(2-fluoro-4-methoxyphenyl)hydrazine;hydrobromide
CID 138620143
4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103590332
4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
CID 29066417
3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
CID 174161470
2-fluoro-4-methoxyaniline
CID 3756383
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013
N-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-amine
CID 175150207
2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine (CID 118027357) is 4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine is COc1ccc(Nc2ccncc2N)c(F)c1.
What is the InChIKey of 4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine?
The InChIKey is IPJPZLDGJPVABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-17-8-2-3-11(9(13)6-8)16-12-4-5-15-7-10(12)14/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine?
4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine has a molecular weight of 233.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluoro-4-methoxyphenyl)pyridine-3,4-diamine is sourced from PubChem (CID 118027357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).