3-(chloromethyl)-2-fluoropyridine

C6H5ClFN — CID 22641304

IUPAC3-(chloromethyl)-2-fluoropyridine
SMILESFc1ncccc1CCl
InChIInChI=1S/C6H5ClFN/c7-4-5-2-1-3-9-6(5)8/h1-3H,4H2
InChIKeyHLNYUNAAFVNAMI-UHFFFAOYSA-N
MW145.56 g/mol
LogP1.96
Rot. Bonds1

About 3-(chloromethyl)-2-fluoropyridine

3-(chloromethyl)-2-fluoropyridine (PubChem CID 22641304) has the molecular formula C6H5ClFN and a molecular weight of 145.56 g/mol. Its IUPAC name is 3-(chloromethyl)-2-fluoropyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-fluoropyridine
PubChem CID22641304
Molecular FormulaC6H5ClFN
Molecular Weight145.56 g/mol
Exact Mass145.01
IUPAC Name3-(chloromethyl)-2-fluoropyridine
SMILESFc1ncccc1CCl
InChIInChI=1S/C6H5ClFN/c7-4-5-2-1-3-9-6(5)8/h1-3H,4H2
InChIKeyHLNYUNAAFVNAMI-UHFFFAOYSA-N
XLogP1.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.56
LogP ≤ 51.96
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

2,3-bis(chloromethyl)pyridine
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3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
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4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
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3-(chloromethyl)-2-ethylpyridine;hydrochloride
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ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide
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N-[(2-fluoro-3-pyridinyl)methyl]acetamide
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3-(chloromethyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine
CID 90118218
3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 61255367
2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine
CID 114267909
3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine
CID 61268222
1-[[3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79679766

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-fluoropyridine?
The IUPAC name of 3-(chloromethyl)-2-fluoropyridine (CID 22641304) is 3-(chloromethyl)-2-fluoropyridine.
What is the SMILES notation for 3-(chloromethyl)-2-fluoropyridine?
The canonical SMILES for 3-(chloromethyl)-2-fluoropyridine is Fc1ncccc1CCl.
What is the InChIKey of 3-(chloromethyl)-2-fluoropyridine?
The InChIKey is HLNYUNAAFVNAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFN/c7-4-5-2-1-3-9-6(5)8/h1-3H,4H2.
What are the key properties of 3-(chloromethyl)-2-fluoropyridine?
3-(chloromethyl)-2-fluoropyridine has a molecular weight of 145.56 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-fluoropyridine is sourced from PubChem (CID 22641304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).