2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine

C17H14FN3 — CID 175992301

IUPAC2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine
SMILES[2H]c1cc(-c2c(C)ccnc2-c2ccc(F)cn2)cc(C)n1
InChIInChI=1S/C17H14FN3/c1-11-5-7-20-17(15-4-3-14(18)10-21-15)16(11)13-6-8-19-12(2)9-13/h3-10H,1-2H3/i8D
InChIKeyZGEJEDDUPFUYDE-BNEYPBHNSA-N
MW280.32 g/mol
LogP3.96
Rot. Bonds2

About 2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine

2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine (PubChem CID 175992301) has the molecular formula C17H14FN3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine.

Molecular Properties

Compound Name2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine
PubChem CID175992301
Molecular FormulaC17H14FN3
Molecular Weight280.32 g/mol
Exact Mass280.12
IUPAC Name2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine
SMILES[2H]c1cc(-c2c(C)ccnc2-c2ccc(F)cn2)cc(C)n1
InChIInChI=1S/C17H14FN3/c1-11-5-7-20-17(15-4-3-14(18)10-21-15)16(11)13-6-8-19-12(2)9-13/h3-10H,1-2H3/i8D
InChIKeyZGEJEDDUPFUYDE-BNEYPBHNSA-N
XLogP3.96
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-fluoro-2-pyridinyl)-5-methylpyridazin-3-amine
CID 112586154
[6-(5-fluoro-2-pyridinyl)-5-methylpyridazin-3-yl]hydrazine
CID 112586149
4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine
CID 175992268
4-fluoro-2-(2-methyl-4-pyridinyl)pyridine
CID 102824556
5-fluoro-2-(2,4,6-trichlorophenyl)pyridine
CID 133090364
4-(2,6-dimethylphenyl)-2-methylpyridine
CID 126725908
4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 175370030
3-(5-fluoro-2-pyridinyl)-4-methylaniline
CID 169175841
[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]hydrazine
CID 112586126
2-(5-fluoro-2-pyridinyl)-7-methyl-1H-imidazo[4,5-b]pyridine
CID 104639110
4-(5-fluoro-2-pyridinyl)-N,5-dimethylpyrimidin-2-amine
CID 112586479
5-fluoro-2-(3,4,5-trichlorophenyl)pyridine
CID 133090365

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine?
The IUPAC name of 2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine (CID 175992301) is 2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine.
What is the SMILES notation for 2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine?
The canonical SMILES for 2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine is [2H]c1cc(-c2c(C)ccnc2-c2ccc(F)cn2)cc(C)n1.
What is the InChIKey of 2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine?
The InChIKey is ZGEJEDDUPFUYDE-BNEYPBHNSA-N. The full InChI is InChI=1S/C17H14FN3/c1-11-5-7-20-17(15-4-3-14(18)10-21-15)16(11)13-6-8-19-12(2)9-13/h3-10H,1-2H3/i8D.
What are the key properties of 2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine?
2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine has a molecular weight of 280.32 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine is sourced from PubChem (CID 175992301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).