3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine

C12H8Cl2FNO — CID 133090437

IUPAC3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine
SMILESCOc1cnc(F)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H8Cl2FNO/c1-17-8-5-9(12(15)16-6-8)7-2-3-10(13)11(14)4-7/h2-6H,1H3
InChIKeyVAFXFNDKNULVIF-UHFFFAOYSA-N
MW272.11 g/mol
LogP4.20
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine

3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine (PubChem CID 133090437) has the molecular formula C12H8Cl2FNO and a molecular weight of 272.11 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine
PubChem CID133090437
Molecular FormulaC12H8Cl2FNO
Molecular Weight272.11 g/mol
Exact Mass271.00
IUPAC Name3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine
SMILESCOc1cnc(F)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H8Cl2FNO/c1-17-8-5-9(12(15)16-6-8)7-2-3-10(13)11(14)4-7/h2-6H,1H3
InChIKeyVAFXFNDKNULVIF-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine
CID 133089527
2-(3,4-dichlorophenyl)-5-methoxypyrimidine
CID 118808074
[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 112749101
[2-(2-fluoro-5-methoxy-3-pyridinyl)phenyl]boronic acid
CID 162721422
3-chloro-2-(2,3-difluorophenyl)-5-methoxypyridine
CID 133088408
1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene
CID 86183672
3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine
CID 133091044
1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene
CID 10381430
3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine
CID 134637494
1-[[5-(4-chlorophenyl)-6-fluoro-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine
CID 68780700
5-(3,4-dichlorophenyl)-2-fluoropyrimidine
CID 130167089
1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119016186

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine (CID 133090437) is 3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine is COc1cnc(F)c(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine?
The InChIKey is VAFXFNDKNULVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO/c1-17-8-5-9(12(15)16-6-8)7-2-3-10(13)11(14)4-7/h2-6H,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine?
3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine has a molecular weight of 272.11 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine is sourced from PubChem (CID 133090437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).