[2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride

C13H13Cl3N2 — CID 167525982

IUPAC[2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1cccnc1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2.ClH/c14-11-4-3-9(12(15)7-11)6-13-10(8-16)2-1-5-17-13;/h1-5,7H,6,8,16H2;1H
InChIKeyWZXNDRKUWSEVIJ-UHFFFAOYSA-N
MW303.62 g/mol
LogP3.86
Rot. Bonds3

About [2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride

[2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride (PubChem CID 167525982) has the molecular formula C13H13Cl3N2 and a molecular weight of 303.62 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride
PubChem CID167525982
Molecular FormulaC13H13Cl3N2
Molecular Weight303.62 g/mol
Exact Mass302.01
IUPAC Name[2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1cccnc1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2.ClH/c14-11-4-3-9(12(15)7-11)6-13-10(8-16)2-1-5-17-13;/h1-5,7H,6,8,16H2;1H
InChIKeyWZXNDRKUWSEVIJ-UHFFFAOYSA-N
XLogP3.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.62
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride (CID 167525982) is [2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride is Cl.NCc1cccnc1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride?
The InChIKey is WZXNDRKUWSEVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2.ClH/c14-11-4-3-9(12(15)7-11)6-13-10(8-16)2-1-5-17-13;/h1-5,7H,6,8,16H2;1H.
What are the key properties of [2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride?
[2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride has a molecular weight of 303.62 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methyl]-3-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 167525982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).