N-(3,4-dibromophenyl)pyrazine-2-carboxamide

C11H7Br2N3O — CID 1221988

IUPACN-(3,4-dibromophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(Br)c1)c1cnccn1
InChIInChI=1S/C11H7Br2N3O/c12-8-2-1-7(5-9(8)13)16-11(17)10-6-14-3-4-15-10/h1-6H,(H,16,17)
InChIKeyIEROJKMCJMVWPB-UHFFFAOYSA-N
MW357.01 g/mol
LogP3.25
Rot. Bonds2

About N-(3,4-dibromophenyl)pyrazine-2-carboxamide

N-(3,4-dibromophenyl)pyrazine-2-carboxamide (PubChem CID 1221988) has the molecular formula C11H7Br2N3O and a molecular weight of 357.01 g/mol. Its IUPAC name is N-(3,4-dibromophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dibromophenyl)pyrazine-2-carboxamide
PubChem CID1221988
Molecular FormulaC11H7Br2N3O
Molecular Weight357.01 g/mol
Exact Mass354.90
IUPAC NameN-(3,4-dibromophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(Br)c1)c1cnccn1
InChIInChI=1S/C11H7Br2N3O/c12-8-2-1-7(5-9(8)13)16-11(17)10-6-14-3-4-15-10/h1-6H,(H,16,17)
InChIKeyIEROJKMCJMVWPB-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.01
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)pyrazine-2-carboxamide
CID 3273013
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
N-(4-sulfanylphenyl)pyrazine-2-carboxamide
CID 137223268
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazine-2-carboxamide
CID 110792487
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351
N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 110461743
N-(3,4-dibromophenyl)pyridine-4-carboxamide
CID 4139948
N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
CID 110744615
N-(3,4-diethoxyphenyl)pyrazine-2-carboxamide
CID 4882744

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dibromophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-dibromophenyl)pyrazine-2-carboxamide (CID 1221988) is N-(3,4-dibromophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dibromophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-dibromophenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(Br)c(Br)c1)c1cnccn1.
What is the InChIKey of N-(3,4-dibromophenyl)pyrazine-2-carboxamide?
The InChIKey is IEROJKMCJMVWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N3O/c12-8-2-1-7(5-9(8)13)16-11(17)10-6-14-3-4-15-10/h1-6H,(H,16,17).
What are the key properties of N-(3,4-dibromophenyl)pyrazine-2-carboxamide?
N-(3,4-dibromophenyl)pyrazine-2-carboxamide has a molecular weight of 357.01 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dibromophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 1221988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).