6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide

C12H9ClFN3O — CID 114035325

IUPAC6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cncc(Cl)n1)c1cccc(F)c1
InChIInChI=1S/C12H9ClFN3O/c1-17(9-4-2-3-8(14)5-9)12(18)10-6-15-7-11(13)16-10/h2-7H,1H3
InChIKeyGZZMLGPVKPOXNO-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.55
Rot. Bonds2

About 6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide

6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide (PubChem CID 114035325) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide
PubChem CID114035325
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cncc(Cl)n1)c1cccc(F)c1
InChIInChI=1S/C12H9ClFN3O/c1-17(9-4-2-3-8(14)5-9)12(18)10-6-15-7-11(13)16-10/h2-7H,1H3
InChIKeyGZZMLGPVKPOXNO-UHFFFAOYSA-N
XLogP2.55
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
CID 114035324
2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide
CID 113378414
5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80619043
3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide
CID 112575829
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 114037685
2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66390308
N-(3-fluorophenyl)-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248954
4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 115116825
4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 115116999
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220
6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 106551027
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
CID 18545673

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide (CID 114035325) is 6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide is CN(C(=O)c1cncc(Cl)n1)c1cccc(F)c1.
What is the InChIKey of 6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide?
The InChIKey is GZZMLGPVKPOXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c1-17(9-4-2-3-8(14)5-9)12(18)10-6-15-7-11(13)16-10/h2-7H,1H3.
What are the key properties of 6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide?
6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide has a molecular weight of 265.68 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 114035325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).