4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine

C13H11ClFN — CID 142906116

IUPAC4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine
SMILESCc1ccc(-c2cc(CCl)ccn2)cc1F
InChIInChI=1S/C13H11ClFN/c1-9-2-3-11(7-12(9)15)13-6-10(8-14)4-5-16-13/h2-7H,8H2,1H3
InChIKeyGXEGNVCBVVVLDP-UHFFFAOYSA-N
MW235.69 g/mol
LogP3.93
Rot. Bonds2

About 4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine

4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine (PubChem CID 142906116) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine
PubChem CID142906116
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine
SMILESCc1ccc(-c2cc(CCl)ccn2)cc1F
InChIInChI=1S/C13H11ClFN/c1-9-2-3-11(7-12(9)15)13-6-10(8-14)4-5-16-13/h2-7H,8H2,1H3
InChIKeyGXEGNVCBVVVLDP-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine?
The IUPAC name of 4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine (CID 142906116) is 4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine is Cc1ccc(-c2cc(CCl)ccn2)cc1F.
What is the InChIKey of 4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine?
The InChIKey is GXEGNVCBVVVLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c1-9-2-3-11(7-12(9)15)13-6-10(8-14)4-5-16-13/h2-7H,8H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine?
4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine has a molecular weight of 235.69 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3-fluoro-4-methylphenyl)pyridine is sourced from PubChem (CID 142906116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).