2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine

C14H13ClFNO — CID 66461583

IUPAC2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine
SMILESCOc1cccc(F)c1C(Cl)Cc1ccccn1
InChIInChI=1S/C14H13ClFNO/c1-18-13-7-4-6-12(16)14(13)11(15)9-10-5-2-3-8-17-10/h2-8,11H,9H2,1H3
InChIKeyIXGABOWURSKIBJ-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.75
Rot. Bonds4

About 2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine

2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine (PubChem CID 66461583) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine
PubChem CID66461583
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine
SMILESCOc1cccc(F)c1C(Cl)Cc1ccccn1
InChIInChI=1S/C14H13ClFNO/c1-18-13-7-4-6-12(16)14(13)11(15)9-10-5-2-3-8-17-10/h2-8,11H,9H2,1H3
InChIKeyIXGABOWURSKIBJ-UHFFFAOYSA-N
XLogP3.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-2-(2,4,5-trimethoxyphenyl)ethyl]pyridine
CID 66460381
1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene
CID 65433307
1-(2-chloro-6-methoxyphenyl)-2-pyridin-2-ylethanol
CID 113456442
1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 82808005
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
1-(2-chloro-6-fluorophenyl)-2-pyridin-2-ylethanamine
CID 43118828
2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine
CID 113396606
2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine
CID 81262929
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
2-(5-fluoro-2-methoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83974822
2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine
CID 82878772
2-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 66461379

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine?
The IUPAC name of 2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine (CID 66461583) is 2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine.
What is the SMILES notation for 2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine?
The canonical SMILES for 2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine is COc1cccc(F)c1C(Cl)Cc1ccccn1.
What is the InChIKey of 2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine?
The InChIKey is IXGABOWURSKIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-18-13-7-4-6-12(16)14(13)11(15)9-10-5-2-3-8-17-10/h2-8,11H,9H2,1H3.
What are the key properties of 2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine?
2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine has a molecular weight of 265.72 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]pyridine is sourced from PubChem (CID 66461583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).