2-N-benzylpyridine-2,3-diamine

C12H13N3 — CID 6622633

IUPAC2-N-benzylpyridine-2,3-diamine
SMILESNc1cccnc1NCc1ccccc1
InChIInChI=1S/C12H13N3/c13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9,13H2,(H,14,15)
InChIKeySLCKILPMRGVCQV-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.28
Rot. Bonds3

About 2-N-benzylpyridine-2,3-diamine

2-N-benzylpyridine-2,3-diamine (PubChem CID 6622633) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-N-benzylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-benzylpyridine-2,3-diamine
PubChem CID6622633
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-N-benzylpyridine-2,3-diamine
SMILESNc1cccnc1NCc1ccccc1
InChIInChI=1S/C12H13N3/c13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9,13H2,(H,14,15)
InChIKeySLCKILPMRGVCQV-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzylpyridine-2,3-diamine?
The IUPAC name of 2-N-benzylpyridine-2,3-diamine (CID 6622633) is 2-N-benzylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-benzylpyridine-2,3-diamine?
The canonical SMILES for 2-N-benzylpyridine-2,3-diamine is Nc1cccnc1NCc1ccccc1.
What is the InChIKey of 2-N-benzylpyridine-2,3-diamine?
The InChIKey is SLCKILPMRGVCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9,13H2,(H,14,15).
What are the key properties of 2-N-benzylpyridine-2,3-diamine?
2-N-benzylpyridine-2,3-diamine has a molecular weight of 199.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzylpyridine-2,3-diamine is sourced from PubChem (CID 6622633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).