2-chloro-6-(chloromethyl)-3-phenylpyridine

C12H9Cl2N — CID 19023694

IUPAC2-chloro-6-(chloromethyl)-3-phenylpyridine
SMILESClCc1ccc(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C12H9Cl2N/c13-8-10-6-7-11(12(14)15-10)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyLYJPNAQMRXGHSB-UHFFFAOYSA-N
MW238.12 g/mol
LogP4.14
Rot. Bonds2

About 2-chloro-6-(chloromethyl)-3-phenylpyridine

2-chloro-6-(chloromethyl)-3-phenylpyridine (PubChem CID 19023694) has the molecular formula C12H9Cl2N and a molecular weight of 238.12 g/mol. Its IUPAC name is 2-chloro-6-(chloromethyl)-3-phenylpyridine.

Molecular Properties

Compound Name2-chloro-6-(chloromethyl)-3-phenylpyridine
PubChem CID19023694
Molecular FormulaC12H9Cl2N
Molecular Weight238.12 g/mol
Exact Mass237.01
IUPAC Name2-chloro-6-(chloromethyl)-3-phenylpyridine
SMILESClCc1ccc(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C12H9Cl2N/c13-8-10-6-7-11(12(14)15-10)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyLYJPNAQMRXGHSB-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-3-phenylpyridin-2-amine
CID 119015084
2-chloro-3,6-diphenylpyridine
CID 165358662
2-(chloromethyl)-4-phenylquinoline
CID 70386210
5-chloro-2-(chloromethyl)-4-phenylpyridine
CID 131531903
2-chloro-7-(chloromethyl)-3-phenylquinoline
CID 28809420
[6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol
CID 119006259
3,6-bis(chloromethyl)-4-phenylpyridazine
CID 71493199
6-(chloromethyl)-2,3-dipyridin-3-ylpyridine
CID 131870624
4-chloro-2-methyl-5-phenylpyrimidine
CID 19917991
2-[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131870429
2-(chloromethyl)-4-fluoro-5-phenylpyridine
CID 131521075
2,6-dichloro-3-methyl-4-phenylpyridine
CID 15154293

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(chloromethyl)-3-phenylpyridine?
The IUPAC name of 2-chloro-6-(chloromethyl)-3-phenylpyridine (CID 19023694) is 2-chloro-6-(chloromethyl)-3-phenylpyridine.
What is the SMILES notation for 2-chloro-6-(chloromethyl)-3-phenylpyridine?
The canonical SMILES for 2-chloro-6-(chloromethyl)-3-phenylpyridine is ClCc1ccc(-c2ccccc2)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(chloromethyl)-3-phenylpyridine?
The InChIKey is LYJPNAQMRXGHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N/c13-8-10-6-7-11(12(14)15-10)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-chloro-6-(chloromethyl)-3-phenylpyridine?
2-chloro-6-(chloromethyl)-3-phenylpyridine has a molecular weight of 238.12 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(chloromethyl)-3-phenylpyridine is sourced from PubChem (CID 19023694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).