3-[2-(chloromethyl)phenyl]pyridine;hydrochloride

C12H11Cl2N — CID 89497165

IUPAC3-[2-(chloromethyl)phenyl]pyridine;hydrochloride
SMILESCl.ClCc1ccccc1-c1cccnc1
InChIInChI=1S/C12H10ClN.ClH/c13-8-10-4-1-2-6-12(10)11-5-3-7-14-9-11;/h1-7,9H,8H2;1H
InChIKeyONSASJSNKAFMRQ-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.91
Rot. Bonds2

About 3-[2-(chloromethyl)phenyl]pyridine;hydrochloride

3-[2-(chloromethyl)phenyl]pyridine;hydrochloride (PubChem CID 89497165) has the molecular formula C12H11Cl2N and a molecular weight of 240.13 g/mol. Its IUPAC name is 3-[2-(chloromethyl)phenyl]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[2-(chloromethyl)phenyl]pyridine;hydrochloride
PubChem CID89497165
Molecular FormulaC12H11Cl2N
Molecular Weight240.13 g/mol
Exact Mass239.03
IUPAC Name3-[2-(chloromethyl)phenyl]pyridine;hydrochloride
SMILESCl.ClCc1ccccc1-c1cccnc1
InChIInChI=1S/C12H10ClN.ClH/c13-8-10-4-1-2-6-12(10)11-5-3-7-14-9-11;/h1-7,9H,8H2;1H
InChIKeyONSASJSNKAFMRQ-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(chloromethyl)phenyl]pyridine;hydrochloride
CID 89497052
3-[2-(chloromethyl)-5-pyridin-3-ylphenyl]pyridine
CID 46316469
N,N-dimethyl-1-(2-pyridin-3-ylphenyl)methanamine
CID 90921130
3-(chloromethyl)-4-phenylpyridine
CID 130967396
3-[2-(3-methylbutyl)phenyl]pyridine
CID 159924713
N-[(2-pyridin-3-ylphenyl)methyl]benzenecarboximidoyl chloride
CID 10244675
3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine
CID 46316472
2-[2-(chloromethyl)phenyl]pyrazine
CID 67883398
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
3-(2-methylphenyl)pyridine
CID 4133191
4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole
CID 65240203
(2,6-dipyridin-3-ylphenyl)methanol
CID 46316451

Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)phenyl]pyridine;hydrochloride?
The IUPAC name of 3-[2-(chloromethyl)phenyl]pyridine;hydrochloride (CID 89497165) is 3-[2-(chloromethyl)phenyl]pyridine;hydrochloride.
What is the SMILES notation for 3-[2-(chloromethyl)phenyl]pyridine;hydrochloride?
The canonical SMILES for 3-[2-(chloromethyl)phenyl]pyridine;hydrochloride is Cl.ClCc1ccccc1-c1cccnc1.
What is the InChIKey of 3-[2-(chloromethyl)phenyl]pyridine;hydrochloride?
The InChIKey is ONSASJSNKAFMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN.ClH/c13-8-10-4-1-2-6-12(10)11-5-3-7-14-9-11;/h1-7,9H,8H2;1H.
What are the key properties of 3-[2-(chloromethyl)phenyl]pyridine;hydrochloride?
3-[2-(chloromethyl)phenyl]pyridine;hydrochloride has a molecular weight of 240.13 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)phenyl]pyridine;hydrochloride is sourced from PubChem (CID 89497165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).