3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine

C17H17N5 — CID 68582766

IUPAC3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine
SMILESNc1cccc(-c2cccnc2-c2cccc(N)c2N)c1N
InChIInChI=1S/C17H17N5/c18-13-7-1-4-10(15(13)20)11-6-3-9-22-17(11)12-5-2-8-14(19)16(12)21/h1-9H,18-21H2
InChIKeyTWTSDNMAQMBYRP-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.74
Rot. Bonds2

About 3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine

3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine (PubChem CID 68582766) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine
PubChem CID68582766
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine
SMILESNc1cccc(-c2cccnc2-c2cccc(N)c2N)c1N
InChIInChI=1S/C17H17N5/c18-13-7-1-4-10(15(13)20)11-6-3-9-22-17(11)12-5-2-8-14(19)16(12)21/h1-9H,18-21H2
InChIKeyTWTSDNMAQMBYRP-UHFFFAOYSA-N
XLogP2.74
TPSA116.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine?
The IUPAC name of 3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine (CID 68582766) is 3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine.
What is the SMILES notation for 3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine?
The canonical SMILES for 3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine is Nc1cccc(-c2cccnc2-c2cccc(N)c2N)c1N.
What is the InChIKey of 3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine?
The InChIKey is TWTSDNMAQMBYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c18-13-7-1-4-10(15(13)20)11-6-3-9-22-17(11)12-5-2-8-14(19)16(12)21/h1-9H,18-21H2.
What are the key properties of 3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine?
3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine has a molecular weight of 291.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-diaminophenyl)-3-pyridinyl]benzene-1,2-diamine is sourced from PubChem (CID 68582766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).