4-N-phenylpyridine-3,4-diamine

C11H11N3 — CID 10583675

IUPAC4-N-phenylpyridine-3,4-diamine
SMILESNc1cnccc1Nc1ccccc1
InChIInChI=1S/C11H11N3/c12-10-8-13-7-6-11(10)14-9-4-2-1-3-5-9/h1-8H,12H2,(H,13,14)
InChIKeyFVUVDAATDDOHKA-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.41
Rot. Bonds2

About 4-N-phenylpyridine-3,4-diamine

4-N-phenylpyridine-3,4-diamine (PubChem CID 10583675) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-N-phenylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-phenylpyridine-3,4-diamine
PubChem CID10583675
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name4-N-phenylpyridine-3,4-diamine
SMILESNc1cnccc1Nc1ccccc1
InChIInChI=1S/C11H11N3/c12-10-8-13-7-6-11(10)14-9-4-2-1-3-5-9/h1-8H,12H2,(H,13,14)
InChIKeyFVUVDAATDDOHKA-UHFFFAOYSA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-phenylpyridine-3,4-diamine?
The IUPAC name of 4-N-phenylpyridine-3,4-diamine (CID 10583675) is 4-N-phenylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-phenylpyridine-3,4-diamine?
The canonical SMILES for 4-N-phenylpyridine-3,4-diamine is Nc1cnccc1Nc1ccccc1.
What is the InChIKey of 4-N-phenylpyridine-3,4-diamine?
The InChIKey is FVUVDAATDDOHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-10-8-13-7-6-11(10)14-9-4-2-1-3-5-9/h1-8H,12H2,(H,13,14).
What are the key properties of 4-N-phenylpyridine-3,4-diamine?
4-N-phenylpyridine-3,4-diamine has a molecular weight of 185.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenylpyridine-3,4-diamine is sourced from PubChem (CID 10583675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).