2-chloro-5-(3-fluorophenyl)-3-methylpyridine

C12H9ClFN — CID 46312013

IUPAC2-chloro-5-(3-fluorophenyl)-3-methylpyridine
SMILESCc1cc(-c2cccc(F)c2)cnc1Cl
InChIInChI=1S/C12H9ClFN/c1-8-5-10(7-15-12(8)13)9-3-2-4-11(14)6-9/h2-7H,1H3
InChIKeyOMQRQQLJODTETM-UHFFFAOYSA-N
MW221.66 g/mol
LogP3.85
Rot. Bonds1

About 2-chloro-5-(3-fluorophenyl)-3-methylpyridine

2-chloro-5-(3-fluorophenyl)-3-methylpyridine (PubChem CID 46312013) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 2-chloro-5-(3-fluorophenyl)-3-methylpyridine.

Molecular Properties

Compound Name2-chloro-5-(3-fluorophenyl)-3-methylpyridine
PubChem CID46312013
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name2-chloro-5-(3-fluorophenyl)-3-methylpyridine
SMILESCc1cc(-c2cccc(F)c2)cnc1Cl
InChIInChI=1S/C12H9ClFN/c1-8-5-10(7-15-12(8)13)9-3-2-4-11(14)6-9/h2-7H,1H3
InChIKeyOMQRQQLJODTETM-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(3-fluorophenyl)-3-methyl-2-[(Z)-prop-1-enyl]pyridine
CID 146292550
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
4-chloro-3-(3-fluorophenyl)-2-methylpyridine
CID 165448690
2-fluoro-3,5-bis(3-fluorophenyl)pyridine
CID 46313566
ethane;2-(3-fluorophenyl)-5-methylpyridine
CID 142255933
[3-chloro-5-(3-fluorophenyl)-2-pyridinyl]methanol
CID 67155008
2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine
CID 46312062
1-fluoro-3-(3-fluorophenyl)-5-methylbenzene
CID 46313952
5-chloro-4-(3-fluorophenyl)-1,2-oxazole
CID 84667900
2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine
CID 67679272
5-chloro-2-(3-fluorophenyl)-1H-imidazole
CID 55264125
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-fluorophenyl)-3-methylpyridine?
The IUPAC name of 2-chloro-5-(3-fluorophenyl)-3-methylpyridine (CID 46312013) is 2-chloro-5-(3-fluorophenyl)-3-methylpyridine.
What is the SMILES notation for 2-chloro-5-(3-fluorophenyl)-3-methylpyridine?
The canonical SMILES for 2-chloro-5-(3-fluorophenyl)-3-methylpyridine is Cc1cc(-c2cccc(F)c2)cnc1Cl.
What is the InChIKey of 2-chloro-5-(3-fluorophenyl)-3-methylpyridine?
The InChIKey is OMQRQQLJODTETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c1-8-5-10(7-15-12(8)13)9-3-2-4-11(14)6-9/h2-7H,1H3.
What are the key properties of 2-chloro-5-(3-fluorophenyl)-3-methylpyridine?
2-chloro-5-(3-fluorophenyl)-3-methylpyridine has a molecular weight of 221.66 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-fluorophenyl)-3-methylpyridine is sourced from PubChem (CID 46312013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).