6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide

C12H7ClF3N3O2 — CID 106551160

IUPAC6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)c1cncc(Cl)n1
InChIInChI=1S/C12H7ClF3N3O2/c13-10-5-17-4-8(19-10)11(20)18-6-1-2-9(7(14)3-6)21-12(15)16/h1-5,12H,(H,18,20)
InChIKeyHDBMQHGQVXYDFV-UHFFFAOYSA-N
MW317.65 g/mol
LogP3.12
Rot. Bonds4

About 6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide

6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide (PubChem CID 106551160) has the molecular formula C12H7ClF3N3O2 and a molecular weight of 317.65 g/mol. Its IUPAC name is 6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide
PubChem CID106551160
Molecular FormulaC12H7ClF3N3O2
Molecular Weight317.65 g/mol
Exact Mass317.02
IUPAC Name6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)c1cncc(Cl)n1
InChIInChI=1S/C12H7ClF3N3O2/c13-10-5-17-4-8(19-10)11(20)18-6-1-2-9(7(14)3-6)21-12(15)16/h1-5,12H,(H,18,20)
InChIKeyHDBMQHGQVXYDFV-UHFFFAOYSA-N
XLogP3.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.65
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-[4-(difluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 103186812
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
CID 61040886
6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 106551049
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide
CID 171463789
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 63101769
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 64525284
6-chloro-N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 103186986
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87026065
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688517
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate
CID 79346339

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide (CID 106551160) is 6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(OC(F)F)c(F)c1)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide?
The InChIKey is HDBMQHGQVXYDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3O2/c13-10-5-17-4-8(19-10)11(20)18-6-1-2-9(7(14)3-6)21-12(15)16/h1-5,12H,(H,18,20).
What are the key properties of 6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide?
6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide has a molecular weight of 317.65 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106551160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).