6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine

C13H11ClFNO — CID 131870572

IUPAC6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine
SMILESCOc1nc(CCl)ccc1-c1ccccc1F
InChIInChI=1S/C13H11ClFNO/c1-17-13-11(7-6-9(8-14)16-13)10-4-2-3-5-12(10)15/h2-7H,8H2,1H3
InChIKeyLNWNDEZBCAQGEE-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.64
Rot. Bonds3

About 6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine

6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine (PubChem CID 131870572) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine.

Molecular Properties

Compound Name6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine
PubChem CID131870572
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine
SMILESCOc1nc(CCl)ccc1-c1ccccc1F
InChIInChI=1S/C13H11ClFNO/c1-17-13-11(7-6-9(8-14)16-13)10-4-2-3-5-12(10)15/h2-7H,8H2,1H3
InChIKeyLNWNDEZBCAQGEE-UHFFFAOYSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.64
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

[6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine
CID 84695528
4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine
CID 62744844
4-chloro-6-(2-fluorophenyl)-3-methoxypyridazine
CID 117107091
[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]methanol
CID 131870314
2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile
CID 84765026
[5-(3-fluorophenyl)-6-methoxy-2-pyridinyl]methanol
CID 131870133
4-(chloromethyl)-2-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 136740682
5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 82084790
3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene
CID 118149723
2-chloro-6-(chloromethyl)-3-phenylpyridine
CID 19023694
[2-(2-fluorophenyl)-6-methoxy-4-pyridinyl]methanamine
CID 105490755
2-[5-(2-fluorophenyl)-6-methoxy-3-pyridinyl]acetic acid
CID 131870062

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine?
The IUPAC name of 6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine (CID 131870572) is 6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine.
What is the SMILES notation for 6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine?
The canonical SMILES for 6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine is COc1nc(CCl)ccc1-c1ccccc1F.
What is the InChIKey of 6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine?
The InChIKey is LNWNDEZBCAQGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-17-13-11(7-6-9(8-14)16-13)10-4-2-3-5-12(10)15/h2-7H,8H2,1H3.
What are the key properties of 6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine?
6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine has a molecular weight of 251.69 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine is sourced from PubChem (CID 131870572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).