4-pyridin-3-ylaniline;dihydrochloride

C11H12Cl2N2 — CID 154574926

IUPAC4-pyridin-3-ylaniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C11H10N2.2ClH/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10;;/h1-8H,12H2;2*1H
InChIKeyZTFSDOGBTPTZEX-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.17
Rot. Bonds1

About 4-pyridin-3-ylaniline;dihydrochloride

4-pyridin-3-ylaniline;dihydrochloride (PubChem CID 154574926) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 4-pyridin-3-ylaniline;dihydrochloride.

Molecular Properties

Compound Name4-pyridin-3-ylaniline;dihydrochloride
PubChem CID154574926
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name4-pyridin-3-ylaniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C11H10N2.2ClH/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10;;/h1-8H,12H2;2*1H
InChIKeyZTFSDOGBTPTZEX-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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Related Compounds

3-azulen-6-ylpyridine
CID 86232079
cyclopenta[c]azepine
CID 638010
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183
4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline
CID 630923
CID 141390156
CID 141390156
bis(4-pyridin-3-ylphenyl)diazene
CID 101443558
4-(4-aminophenyl)aniline;ethane;bis(pyridine)
CID 161174430
3-(3,5-diphenylphenyl)pyridine
CID 141411458
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
2,4-dipyridin-3-ylaniline
CID 46316358

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylaniline;dihydrochloride?
The IUPAC name of 4-pyridin-3-ylaniline;dihydrochloride (CID 154574926) is 4-pyridin-3-ylaniline;dihydrochloride.
What is the SMILES notation for 4-pyridin-3-ylaniline;dihydrochloride?
The canonical SMILES for 4-pyridin-3-ylaniline;dihydrochloride is Cl.Cl.Nc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 4-pyridin-3-ylaniline;dihydrochloride?
The InChIKey is ZTFSDOGBTPTZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2.2ClH/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10;;/h1-8H,12H2;2*1H.
What are the key properties of 4-pyridin-3-ylaniline;dihydrochloride?
4-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 4-pyridin-3-ylaniline;dihydrochloride is sourced from PubChem (CID 154574926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).