5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine

C12H7Cl2F2NO — CID 18466521

IUPAC5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine
SMILESCOc1cc(-c2ncc(Cl)cc2F)c(F)cc1Cl
InChIInChI=1S/C12H7Cl2F2NO/c1-18-11-3-7(9(15)4-8(11)14)12-10(16)2-6(13)5-17-12/h2-5H,1H3
InChIKeyVKTTZDCROFRLCQ-UHFFFAOYSA-N
MW290.10 g/mol
LogP4.34
Rot. Bonds2

About 5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine

5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine (PubChem CID 18466521) has the molecular formula C12H7Cl2F2NO and a molecular weight of 290.10 g/mol. Its IUPAC name is 5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine.

Molecular Properties

Compound Name5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine
PubChem CID18466521
Molecular FormulaC12H7Cl2F2NO
Molecular Weight290.10 g/mol
Exact Mass288.99
IUPAC Name5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine
SMILESCOc1cc(-c2ncc(Cl)cc2F)c(F)cc1Cl
InChIInChI=1S/C12H7Cl2F2NO/c1-18-11-3-7(9(15)4-8(11)14)12-10(16)2-6(13)5-17-12/h2-5H,1H3
InChIKeyVKTTZDCROFRLCQ-UHFFFAOYSA-N
XLogP4.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole
CID 67853105
4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-ethenyl-6-methoxypyrimidine
CID 71367615
5-chloro-2,3-dimethoxypyridine;hydrochloride
CID 91759024
4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole
CID 19959928
3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine
CID 134637494
5-chloro-3-fluoro-2-(5-methoxy-1-methylpyrazol-3-yl)pyridine
CID 131875828
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
5-chloro-2-(3,5-dichlorophenyl)-3-fluoropyridine
CID 133090435
5-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130095452
4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole
CID 101126842
5-(4-chloro-2-fluoro-5-methoxyphenyl)-4-methyl-1H-pyrazole-3-carbonitrile
CID 11043685

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine?
The IUPAC name of 5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine (CID 18466521) is 5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine.
What is the SMILES notation for 5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine?
The canonical SMILES for 5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine is COc1cc(-c2ncc(Cl)cc2F)c(F)cc1Cl.
What is the InChIKey of 5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine?
The InChIKey is VKTTZDCROFRLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2NO/c1-18-11-3-7(9(15)4-8(11)14)12-10(16)2-6(13)5-17-12/h2-5H,1H3.
What are the key properties of 5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine?
5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine has a molecular weight of 290.10 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine is sourced from PubChem (CID 18466521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).