2-(chloromethyl)-4-fluoro-5-phenylpyridine

C12H9ClFN — CID 131521075

IUPAC2-(chloromethyl)-4-fluoro-5-phenylpyridine
SMILESFc1cc(CCl)ncc1-c1ccccc1
InChIInChI=1S/C12H9ClFN/c13-7-10-6-12(14)11(8-15-10)9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyCDSCQXUVMCFZRI-UHFFFAOYSA-N
MW221.66 g/mol
LogP3.63
Rot. Bonds2

About 2-(chloromethyl)-4-fluoro-5-phenylpyridine

2-(chloromethyl)-4-fluoro-5-phenylpyridine (PubChem CID 131521075) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 2-(chloromethyl)-4-fluoro-5-phenylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-fluoro-5-phenylpyridine
PubChem CID131521075
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name2-(chloromethyl)-4-fluoro-5-phenylpyridine
SMILESFc1cc(CCl)ncc1-c1ccccc1
InChIInChI=1S/C12H9ClFN/c13-7-10-6-12(14)11(8-15-10)9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyCDSCQXUVMCFZRI-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoro-5-phenyl-2-pyridinyl)acetic acid
CID 133095784
5-chloro-2-(chloromethyl)-4-phenylpyridine
CID 131531903
2-(chloromethyl)-5-phenylpyrazine
CID 19769444
dichloromethane;1-fluoro-2-phenylbenzene
CID 174471910
3,6-bis(chloromethyl)-4-phenylpyridazine
CID 71493199
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
2-(chloromethyl)-4-phenylquinoline
CID 70386210
3-(chloromethyl)-2-fluoro-4-phenylpyridine
CID 131521071
2-chloro-6-(chloromethyl)-3-phenylpyridine
CID 19023694
2-(chloromethyl)-5-fluoropyridine-4-carbonitrile
CID 177324744
6-(chloromethyl)-3-phenylpyridin-2-amine
CID 119015084
2-(2-fluoro-5-phenyl-4-pyridinyl)acetonitrile
CID 131870326

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-fluoro-5-phenylpyridine?
The IUPAC name of 2-(chloromethyl)-4-fluoro-5-phenylpyridine (CID 131521075) is 2-(chloromethyl)-4-fluoro-5-phenylpyridine.
What is the SMILES notation for 2-(chloromethyl)-4-fluoro-5-phenylpyridine?
The canonical SMILES for 2-(chloromethyl)-4-fluoro-5-phenylpyridine is Fc1cc(CCl)ncc1-c1ccccc1.
What is the InChIKey of 2-(chloromethyl)-4-fluoro-5-phenylpyridine?
The InChIKey is CDSCQXUVMCFZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c13-7-10-6-12(14)11(8-15-10)9-4-2-1-3-5-9/h1-6,8H,7H2.
What are the key properties of 2-(chloromethyl)-4-fluoro-5-phenylpyridine?
2-(chloromethyl)-4-fluoro-5-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 2-(chloromethyl)-4-fluoro-5-phenylpyridine is sourced from PubChem (CID 131521075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).