[2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride

C12H11Cl3N2 — CID 117071690

IUPAC[2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C12H10Cl2N2.ClH/c13-10-4-1-8(2-5-10)11-6-3-9(7-15)12(14)16-11;/h1-6H,7,15H2;1H
InChIKeyRNPUSEQAVUKPRE-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.94
Rot. Bonds2

About [2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride

[2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride (PubChem CID 117071690) has the molecular formula C12H11Cl3N2 and a molecular weight of 289.59 g/mol. Its IUPAC name is [2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride
PubChem CID117071690
Molecular FormulaC12H11Cl3N2
Molecular Weight289.59 g/mol
Exact Mass288.00
IUPAC Name[2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C12H10Cl2N2.ClH/c13-10-4-1-8(2-5-10)11-6-3-9(7-15)12(14)16-11;/h1-6H,7,15H2;1H
InChIKeyRNPUSEQAVUKPRE-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-(4-chlorophenyl)quinolin-4-yl]methanamine;hydrochloride
CID 82025623
2-[6-(4-chlorophenyl)-2-pyridinyl]ethanamine
CID 83713592
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol
CID 119008277
3,6-bis(4-chlorophenyl)pyridazine
CID 11197367
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
CID 53444369
2-amino-3-[6-(4-chlorophenyl)-2-pyridinyl]propan-1-ol
CID 170893413
1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine
CID 170889254
2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 119014344
[6-(4-chlorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]methanamine;hydrochloride
CID 82022749
2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine
CID 83850617
3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one
CID 82519382

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride (CID 117071690) is [2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2ccc(Cl)cc2)nc1Cl.
What is the InChIKey of [2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride?
The InChIKey is RNPUSEQAVUKPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2.ClH/c13-10-4-1-8(2-5-10)11-6-3-9(7-15)12(14)16-11;/h1-6H,7,15H2;1H.
What are the key properties of [2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride?
[2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride has a molecular weight of 289.59 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(4-chlorophenyl)-3-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 117071690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).