4-(6-amino-3-pyridinyl)benzene-1,2-diamine

C11H12N4 — CID 144882064

IUPAC4-(6-amino-3-pyridinyl)benzene-1,2-diamine
SMILESNc1ccc(-c2ccc(N)c(N)c2)cn1
InChIInChI=1S/C11H12N4/c12-9-3-1-7(5-10(9)13)8-2-4-11(14)15-6-8/h1-6H,12-13H2,(H2,14,15)
InChIKeyJIDIEYSDYZDLSX-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.50
Rot. Bonds1

About 4-(6-amino-3-pyridinyl)benzene-1,2-diamine

4-(6-amino-3-pyridinyl)benzene-1,2-diamine (PubChem CID 144882064) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(6-amino-3-pyridinyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(6-amino-3-pyridinyl)benzene-1,2-diamine
PubChem CID144882064
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name4-(6-amino-3-pyridinyl)benzene-1,2-diamine
SMILESNc1ccc(-c2ccc(N)c(N)c2)cn1
InChIInChI=1S/C11H12N4/c12-9-3-1-7(5-10(9)13)8-2-4-11(14)15-6-8/h1-6H,12-13H2,(H2,14,15)
InChIKeyJIDIEYSDYZDLSX-UHFFFAOYSA-N
XLogP1.50
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(6-amino-3-pyridinyl)-2-methylpyridin-3-amine
CID 171351128
5-(2-amino-4-pyridinyl)pyridin-2-amine
CID 69116812
5-(4-fluorophenyl)pyridin-2-amine
CID 22504802
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 25184302
5-(5-methyl-3-pyridinyl)pyridin-2-amine
CID 115375024
5-(5-methylthiophen-3-yl)pyridin-2-amine
CID 65100165
aniline;4-(3,4-diaminophenyl)benzene-1,2-diamine
CID 160814118
5-(4-cyclopropyloxyphenyl)pyridin-2-amine
CID 114519908
5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155505909
4-phenylbenzene-1,2-diamine;dihydrochloride
CID 53439687
4-(3,4-diaminophenyl)phenol
CID 19907643
5-(2-methoxyquinolin-6-yl)pyridin-2-amine
CID 14220984

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-pyridinyl)benzene-1,2-diamine?
The IUPAC name of 4-(6-amino-3-pyridinyl)benzene-1,2-diamine (CID 144882064) is 4-(6-amino-3-pyridinyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(6-amino-3-pyridinyl)benzene-1,2-diamine?
The canonical SMILES for 4-(6-amino-3-pyridinyl)benzene-1,2-diamine is Nc1ccc(-c2ccc(N)c(N)c2)cn1.
What is the InChIKey of 4-(6-amino-3-pyridinyl)benzene-1,2-diamine?
The InChIKey is JIDIEYSDYZDLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-9-3-1-7(5-10(9)13)8-2-4-11(14)15-6-8/h1-6H,12-13H2,(H2,14,15).
What are the key properties of 4-(6-amino-3-pyridinyl)benzene-1,2-diamine?
4-(6-amino-3-pyridinyl)benzene-1,2-diamine has a molecular weight of 200.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-pyridinyl)benzene-1,2-diamine is sourced from PubChem (CID 144882064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).