6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine

C18H14ClFN2 — CID 123542608

IUPAC6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine
SMILESCc1ccc(-c2cccnc2-c2cc(Cl)ccc2F)nc1C
InChIInChI=1S/C18H14ClFN2/c1-11-5-8-17(22-12(11)2)14-4-3-9-21-18(14)15-10-13(19)6-7-16(15)20/h3-10H,1-2H3
InChIKeyKKLMOJKHRTUFOB-UHFFFAOYSA-N
MW312.78 g/mol
LogP5.22
Rot. Bonds2

About 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine

6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine (PubChem CID 123542608) has the molecular formula C18H14ClFN2 and a molecular weight of 312.78 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine.

Molecular Properties

Compound Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine
PubChem CID123542608
Molecular FormulaC18H14ClFN2
Molecular Weight312.78 g/mol
Exact Mass312.08
IUPAC Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine
SMILESCc1ccc(-c2cccnc2-c2cc(Cl)ccc2F)nc1C
InChIInChI=1S/C18H14ClFN2/c1-11-5-8-17(22-12(11)2)14-4-3-9-21-18(14)15-10-13(19)6-7-16(15)20/h3-10H,1-2H3
InChIKeyKKLMOJKHRTUFOB-UHFFFAOYSA-N
XLogP5.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.78
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 136929412
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxypyrido[3,2-d]pyrimidine
CID 118437807
5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 122478589
6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazoline
CID 174843090
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine
CID 90095665
3-(4-chloro-3-fluorophenyl)-2-methylpyridine
CID 90167635
2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine
CID 90095092
6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine
CID 112547307
5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-1H-indazole
CID 122478455
7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2H-1,2,4-benzothiadiazine
CID 90095540
6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine
CID 90094571
4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide
CID 22747285

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine?
The IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine (CID 123542608) is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine.
What is the SMILES notation for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine?
The canonical SMILES for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine is Cc1ccc(-c2cccnc2-c2cc(Cl)ccc2F)nc1C.
What is the InChIKey of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine?
The InChIKey is KKLMOJKHRTUFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2/c1-11-5-8-17(22-12(11)2)14-4-3-9-21-18(14)15-10-13(19)6-7-16(15)20/h3-10H,1-2H3.
What are the key properties of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine?
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine has a molecular weight of 312.78 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine is sourced from PubChem (CID 123542608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).