biphenylene-2,6-diamine

C12H10N2 — CID 26369648

IUPACbiphenylene-2,6-diamine
SMILESNc1ccc2c(c1)=c1ccc(N)cc1=2
InChIInChI=1S/C12H10N2/c13-7-1-3-9-11(5-7)10-4-2-8(14)6-12(9)10/h1-6H,13-14H2
InChIKeyNHKFQWGBZIMLPP-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.74
Rot. Bonds

About biphenylene-2,6-diamine

biphenylene-2,6-diamine (PubChem CID 26369648) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is biphenylene-2,6-diamine.

Molecular Properties

Compound Namebiphenylene-2,6-diamine
PubChem CID26369648
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Namebiphenylene-2,6-diamine
SMILESNc1ccc2c(c1)=c1ccc(N)cc1=2
InChIInChI=1S/C12H10N2/c13-7-1-3-9-11(5-7)10-4-2-8(14)6-12(9)10/h1-6H,13-14H2
InChIKeyNHKFQWGBZIMLPP-UHFFFAOYSA-N
XLogP1.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of biphenylene-2,6-diamine?
The IUPAC name of biphenylene-2,6-diamine (CID 26369648) is biphenylene-2,6-diamine.
What is the SMILES notation for biphenylene-2,6-diamine?
The canonical SMILES for biphenylene-2,6-diamine is Nc1ccc2c(c1)=c1ccc(N)cc1=2.
What is the InChIKey of biphenylene-2,6-diamine?
The InChIKey is NHKFQWGBZIMLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c13-7-1-3-9-11(5-7)10-4-2-8(14)6-12(9)10/h1-6H,13-14H2.
What are the key properties of biphenylene-2,6-diamine?
biphenylene-2,6-diamine has a molecular weight of 182.23 g/mol, XLogP of 1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene-2,6-diamine is sourced from PubChem (CID 26369648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).