6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide

C12H9ClFN3O — CID 103337581

IUPAC6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1c(F)cccc1NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H9ClFN3O/c1-7-8(14)3-2-4-9(7)17-12(18)10-5-15-6-11(13)16-10/h2-6H,1H3,(H,17,18)
InChIKeyONNWOBAVOBEPRL-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.83
Rot. Bonds2

About 6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide

6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide (PubChem CID 103337581) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide
PubChem CID103337581
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1c(F)cccc1NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H9ClFN3O/c1-7-8(14)3-2-4-9(7)17-12(18)10-5-15-6-11(13)16-10/h2-6H,1H3,(H,17,18)
InChIKeyONNWOBAVOBEPRL-UHFFFAOYSA-N
XLogP2.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-methylquinolin-8-yl)pyrazine-2-carboxamide
CID 103337437
3-chloro-N-(3-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 66484528
6-chloro-N-(4-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 103336937
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 106551752
6-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103186933
3-amino-2-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 112575791
N-(5-bromo-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 103337254
2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 63660223
3-[(6-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114035227
6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide
CID 103336801
6-chloro-N-(1,3-dimethylpyrazol-4-yl)pyrazine-2-carboxamide
CID 106551394
6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
CID 57327107

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide (CID 103337581) is 6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide is Cc1c(F)cccc1NC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is ONNWOBAVOBEPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c1-7-8(14)3-2-4-9(7)17-12(18)10-5-15-6-11(13)16-10/h2-6H,1H3,(H,17,18).
What are the key properties of 6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide?
6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 265.68 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-fluoro-2-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103337581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).