6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide

C12H7Cl2N3O3 — CID 107260856

IUPAC6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCO2)c1cncc(Cl)n1
InChIInChI=1S/C12H7Cl2N3O3/c13-6-1-9-10(20-5-19-9)2-7(6)17-12(18)8-3-15-4-11(14)16-8/h1-4H,5H2,(H,17,18)
InChIKeyRSRRISVFMCHNDX-UHFFFAOYSA-N
MW312.11 g/mol
LogP2.76
Rot. Bonds2

About 6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide

6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide (PubChem CID 107260856) has the molecular formula C12H7Cl2N3O3 and a molecular weight of 312.11 g/mol. Its IUPAC name is 6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
PubChem CID107260856
Molecular FormulaC12H7Cl2N3O3
Molecular Weight312.11 g/mol
Exact Mass310.99
IUPAC Name6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCO2)c1cncc(Cl)n1
InChIInChI=1S/C12H7Cl2N3O3/c13-6-1-9-10(20-5-19-9)2-7(6)17-12(18)8-3-15-4-11(14)16-8/h1-4H,5H2,(H,17,18)
InChIKeyRSRRISVFMCHNDX-UHFFFAOYSA-N
XLogP2.76
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1,3-benzodioxol-5-yl)prop-2-enamide
CID 43616646
N-(6-chloro-1,3-benzodioxol-5-yl)-4-iodobenzamide
CID 39728188
N-(6-chloro-1,3-benzodioxol-5-yl)-6-methylpyridine-3-carboxamide
CID 18158591
N-(6-chloro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide
CID 60699580
3-[(6-chloro-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 62231463
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2H-triazole-4-carboxamide
CID 47367693
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methylpyrazine-2-carboxamide
CID 18121973
2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate
CID 79346610
N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 34536772
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide
CID 115497158
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862
2-bromo-N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylbenzamide
CID 80973088

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide (CID 107260856) is 6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide is O=C(Nc1cc2c(cc1Cl)OCO2)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide?
The InChIKey is RSRRISVFMCHNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O3/c13-6-1-9-10(20-5-19-9)2-7(6)17-12(18)8-3-15-4-11(14)16-8/h1-4H,5H2,(H,17,18).
What are the key properties of 6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide?
6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide has a molecular weight of 312.11 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107260856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).