4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine

C11H8ClFN2 — CID 118822538

IUPAC4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine
SMILESFc1cnc(-c2cccnc2)cc1CCl
InChIInChI=1S/C11H8ClFN2/c12-5-9-4-11(15-7-10(9)13)8-2-1-3-14-6-8/h1-4,6-7H,5H2
InChIKeyAYBBLVXYQOKLIW-UHFFFAOYSA-N
MW222.65 g/mol
LogP3.02
Rot. Bonds2

About 4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine

4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine (PubChem CID 118822538) has the molecular formula C11H8ClFN2 and a molecular weight of 222.65 g/mol. Its IUPAC name is 4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine.

Molecular Properties

Compound Name4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine
PubChem CID118822538
Molecular FormulaC11H8ClFN2
Molecular Weight222.65 g/mol
Exact Mass222.04
IUPAC Name4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine
SMILESFc1cnc(-c2cccnc2)cc1CCl
InChIInChI=1S/C11H8ClFN2/c12-5-9-4-11(15-7-10(9)13)8-2-1-3-14-6-8/h1-4,6-7H,5H2
InChIKeyAYBBLVXYQOKLIW-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 53.02
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-(5-fluoro-2-pyridin-3-yl-4-pyridinyl)acetic acid
CID 131869932
7-fluoro-3-pyridin-3-ylisoquinoline
CID 25058388
4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole
CID 65240203
3-[2-(chloromethyl)-5-pyridin-3-ylphenyl]pyridine
CID 46316469
2-(2-fluoro-5-pyridin-3-ylphenyl)acetic acid
CID 46315790
2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid
CID 131869928
3-[2-(chloromethyl)phenyl]pyridine;hydrochloride
CID 89497165
3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine
CID 46316213
2-chloro-5-pyridin-3-ylpyrazine
CID 130802155
5-(chloromethyl)-3-pyridin-3-yl-1,2-oxazole;hydrochloride
CID 53398877
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-pyridin-3-yl-3-pyridinyl]-trimethylgermane
CID 169038628
3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine
CID 46316472

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine?
The IUPAC name of 4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine (CID 118822538) is 4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine.
What is the SMILES notation for 4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine?
The canonical SMILES for 4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine is Fc1cnc(-c2cccnc2)cc1CCl.
What is the InChIKey of 4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine?
The InChIKey is AYBBLVXYQOKLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2/c12-5-9-4-11(15-7-10(9)13)8-2-1-3-14-6-8/h1-4,6-7H,5H2.
What are the key properties of 4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine?
4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine has a molecular weight of 222.65 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine is sourced from PubChem (CID 118822538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).