3-(chloromethyl)-2-fluoro-4-phenylpyridine

C12H9ClFN — CID 131521071

IUPAC3-(chloromethyl)-2-fluoro-4-phenylpyridine
SMILESFc1nccc(-c2ccccc2)c1CCl
InChIInChI=1S/C12H9ClFN/c13-8-11-10(6-7-15-12(11)14)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyRPTSUNMKTBASPI-UHFFFAOYSA-N
MW221.66 g/mol
LogP3.63
Rot. Bonds2

About 3-(chloromethyl)-2-fluoro-4-phenylpyridine

3-(chloromethyl)-2-fluoro-4-phenylpyridine (PubChem CID 131521071) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 3-(chloromethyl)-2-fluoro-4-phenylpyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-fluoro-4-phenylpyridine
PubChem CID131521071
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name3-(chloromethyl)-2-fluoro-4-phenylpyridine
SMILESFc1nccc(-c2ccccc2)c1CCl
InChIInChI=1S/C12H9ClFN/c13-8-11-10(6-7-15-12(11)14)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyRPTSUNMKTBASPI-UHFFFAOYSA-N
XLogP3.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 53.63
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

(2-fluoro-4-phenyl-3-pyridinyl)methanol
CID 133094908
(2-chloro-4-phenyl-3-pyridinyl)methanamine
CID 82675762
2-(2-chloro-4-phenyl-3-pyridinyl)acetonitrile
CID 118991527
2-(chloromethyl)-4-fluoro-5-phenylpyridine
CID 131521075
3-(chloromethyl)-4-phenylpyridine
CID 130967396
(2-methoxy-4-phenyl-3-pyridinyl)methanol
CID 131571505
dichloromethane;1-fluoro-2-phenylbenzene
CID 174471910
5-chloro-2-(chloromethyl)-4-phenylpyridine
CID 131531903
3-(chloromethyl)-2-fluoropyridine
CID 22641304
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363
3,4-bis(chloromethyl)-2,5-diphenylthiophene
CID 11727323
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-fluoro-4-phenylpyridine?
The IUPAC name of 3-(chloromethyl)-2-fluoro-4-phenylpyridine (CID 131521071) is 3-(chloromethyl)-2-fluoro-4-phenylpyridine.
What is the SMILES notation for 3-(chloromethyl)-2-fluoro-4-phenylpyridine?
The canonical SMILES for 3-(chloromethyl)-2-fluoro-4-phenylpyridine is Fc1nccc(-c2ccccc2)c1CCl.
What is the InChIKey of 3-(chloromethyl)-2-fluoro-4-phenylpyridine?
The InChIKey is RPTSUNMKTBASPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c13-8-11-10(6-7-15-12(11)14)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 3-(chloromethyl)-2-fluoro-4-phenylpyridine?
3-(chloromethyl)-2-fluoro-4-phenylpyridine has a molecular weight of 221.66 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-fluoro-4-phenylpyridine is sourced from PubChem (CID 131521071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).