3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid

C11H6ClFN2O2 — CID 82481566

IUPAC3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1-c1cc(Cl)ccc1F
InChIInChI=1S/C11H6ClFN2O2/c12-6-1-2-8(13)7(5-6)9-10(11(16)17)15-4-3-14-9/h1-5H,(H,16,17)
InChIKeyTYFRAWRQPHCQOF-UHFFFAOYSA-N
MW252.63 g/mol
LogP2.63
Rot. Bonds2

About 3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid

3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid (PubChem CID 82481566) has the molecular formula C11H6ClFN2O2 and a molecular weight of 252.63 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid
PubChem CID82481566
Molecular FormulaC11H6ClFN2O2
Molecular Weight252.63 g/mol
Exact Mass252.01
IUPAC Name3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1-c1cc(Cl)ccc1F
InChIInChI=1S/C11H6ClFN2O2/c12-6-1-2-8(13)7(5-6)9-10(11(16)17)15-4-3-14-9/h1-5H,(H,16,17)
InChIKeyTYFRAWRQPHCQOF-UHFFFAOYSA-N
XLogP2.63
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.63
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid
CID 82481564
3-(5-chloro-2-fluorobenzoyl)pyridine-2-carboxylic acid
CID 23355556
2-(5-chloro-2-fluorobenzoyl)pyridine-3-carboxylic acid
CID 23355545
3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 114866743
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
3-(2-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
CID 53222818
5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane
CID 142369382
4-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211133
3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 103046281
4-(4-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 170457601
3-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 69179309
6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 133090645

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid (CID 82481566) is 3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1-c1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid?
The InChIKey is TYFRAWRQPHCQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O2/c12-6-1-2-8(13)7(5-6)9-10(11(16)17)15-4-3-14-9/h1-5H,(H,16,17).
What are the key properties of 3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid?
3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid has a molecular weight of 252.63 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 82481566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).