2,3-bis(chloromethyl)-6-phenylpyridine

C13H11Cl2N — CID 18916594

IUPAC2,3-bis(chloromethyl)-6-phenylpyridine
SMILESClCc1ccc(-c2ccccc2)nc1CCl
InChIInChI=1S/C13H11Cl2N/c14-8-11-6-7-12(16-13(11)9-15)10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyVFYORPJLYBMKIJ-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.23
Rot. Bonds3

About 2,3-bis(chloromethyl)-6-phenylpyridine

2,3-bis(chloromethyl)-6-phenylpyridine (PubChem CID 18916594) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is 2,3-bis(chloromethyl)-6-phenylpyridine.

Molecular Properties

Compound Name2,3-bis(chloromethyl)-6-phenylpyridine
PubChem CID18916594
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC Name2,3-bis(chloromethyl)-6-phenylpyridine
SMILESClCc1ccc(-c2ccccc2)nc1CCl
InChIInChI=1S/C13H11Cl2N/c14-8-11-6-7-12(16-13(11)9-15)10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyVFYORPJLYBMKIJ-UHFFFAOYSA-N
XLogP4.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.23
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

3-(chloromethyl)-6-phenylpyridin-2-amine
CID 131322440
2-(bromomethyl)-6-phenylpyridin-3-ol
CID 131609645
2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine
CID 131869560
[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]carbamic acid
CID 69317390
2-(chloromethyl)-6-phenylpyrazine
CID 177237498
2-(chloromethyl)-4-phenyl-1,3-oxazole
CID 15133748
[2-(bromomethyl)-6-phenyl-3-pyridinyl]carbamic acid
CID 69313732
1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane
CID 161306224
2-chloro-3,6-diphenylpyridine
CID 165358662
2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole
CID 139072612
3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
CID 67041293

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(chloromethyl)-6-phenylpyridine?
The IUPAC name of 2,3-bis(chloromethyl)-6-phenylpyridine (CID 18916594) is 2,3-bis(chloromethyl)-6-phenylpyridine.
What is the SMILES notation for 2,3-bis(chloromethyl)-6-phenylpyridine?
The canonical SMILES for 2,3-bis(chloromethyl)-6-phenylpyridine is ClCc1ccc(-c2ccccc2)nc1CCl.
What is the InChIKey of 2,3-bis(chloromethyl)-6-phenylpyridine?
The InChIKey is VFYORPJLYBMKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c14-8-11-6-7-12(16-13(11)9-15)10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 2,3-bis(chloromethyl)-6-phenylpyridine?
2,3-bis(chloromethyl)-6-phenylpyridine has a molecular weight of 252.14 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(chloromethyl)-6-phenylpyridine is sourced from PubChem (CID 18916594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).