3-pyridin-3-ylaniline;dihydrochloride

C11H12Cl2N2 — CID 21146183

IUPAC3-pyridin-3-ylaniline;dihydrochloride
SMILESCl.Cl.Nc1cccc(-c2cccnc2)c1
InChIInChI=1S/C11H10N2.2ClH/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10;;/h1-8H,12H2;2*1H
InChIKeyXTQSQUBTKOMVOP-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.17
Rot. Bonds1

About 3-pyridin-3-ylaniline;dihydrochloride

3-pyridin-3-ylaniline;dihydrochloride (PubChem CID 21146183) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 3-pyridin-3-ylaniline;dihydrochloride.

Molecular Properties

Compound Name3-pyridin-3-ylaniline;dihydrochloride
PubChem CID21146183
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name3-pyridin-3-ylaniline;dihydrochloride
SMILESCl.Cl.Nc1cccc(-c2cccnc2)c1
InChIInChI=1S/C11H10N2.2ClH/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10;;/h1-8H,12H2;2*1H
InChIKeyXTQSQUBTKOMVOP-UHFFFAOYSA-N
XLogP3.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.17
H-Bond Donors ≤ 51
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 3-pyridin-3-ylaniline;dihydrochloride?
The IUPAC name of 3-pyridin-3-ylaniline;dihydrochloride (CID 21146183) is 3-pyridin-3-ylaniline;dihydrochloride.
What is the SMILES notation for 3-pyridin-3-ylaniline;dihydrochloride?
The canonical SMILES for 3-pyridin-3-ylaniline;dihydrochloride is Cl.Cl.Nc1cccc(-c2cccnc2)c1.
What is the InChIKey of 3-pyridin-3-ylaniline;dihydrochloride?
The InChIKey is XTQSQUBTKOMVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2.2ClH/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10;;/h1-8H,12H2;2*1H.
What are the key properties of 3-pyridin-3-ylaniline;dihydrochloride?
3-pyridin-3-ylaniline;dihydrochloride has a molecular weight of 243.14 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylaniline;dihydrochloride is sourced from PubChem (CID 21146183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).