2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine

C13H12ClFN2 — CID 178073316

IUPAC2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine
SMILESCC(C)c1cnc(-c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C13H12ClFN2/c1-8(2)12-6-17-13(7-16-12)10-4-3-9(15)5-11(10)14/h3-8H,1-2H3
InChIKeyLVKXFTVBAFYKTH-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.06
Rot. Bonds2

About 2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine

2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine (PubChem CID 178073316) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine
PubChem CID178073316
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine
SMILESCC(C)c1cnc(-c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C13H12ClFN2/c1-8(2)12-6-17-13(7-16-12)10-4-3-9(15)5-11(10)14/h3-8H,1-2H3
InChIKeyLVKXFTVBAFYKTH-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine
CID 178073470
6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde
CID 175646824
4-(2-chloro-4-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955703
4-chloro-6-(2-chloro-4-fluorophenyl)pyrimidine
CID 24902070
4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine
CID 113324916
2-(2-ethyl-3-methylphenyl)-5-propan-2-ylpyrazine
CID 170279057
3-(2,4-difluorophenyl)-6-propan-2-ylpyridazine
CID 67473570
N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484685
5-(2-chloro-4-fluorophenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 135350582
5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
CID 65179612
2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine
CID 178072988
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine (CID 178073316) is 2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine is CC(C)c1cnc(-c2ccc(F)cc2Cl)cn1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine?
The InChIKey is LVKXFTVBAFYKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-8(2)12-6-17-13(7-16-12)10-4-3-9(15)5-11(10)14/h3-8H,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine?
2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine has a molecular weight of 250.70 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine is sourced from PubChem (CID 178073316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).