N-(4-bromophenyl)-5-chloropyrazine-2-carboxamide

C11H7BrClN3O — CID 71655577

IUPACN-(4-bromophenyl)-5-chloropyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnc(Cl)cn1
InChIInChI=1S/C11H7BrClN3O/c12-7-1-3-8(4-2-7)16-11(17)9-5-15-10(13)6-14-9/h1-6H,(H,16,17)
InChIKeyVGHINGDPDPNTTR-UHFFFAOYSA-N
MW312.55 g/mol
LogP3.14
Rot. Bonds2

About N-(4-bromophenyl)-5-chloropyrazine-2-carboxamide

N-(4-bromophenyl)-5-chloropyrazine-2-carboxamide (PubChem CID 71655577) has the molecular formula C11H7BrClN3O and a molecular weight of 312.55 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-chloropyrazine-2-carboxamide
PubChem CID71655577
Molecular FormulaC11H7BrClN3O
Molecular Weight312.55 g/mol
Exact Mass310.95
IUPAC NameN-(4-bromophenyl)-5-chloropyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnc(Cl)cn1
InChIInChI=1S/C11H7BrClN3O/c12-7-1-3-8(4-2-7)16-11(17)9-5-15-10(13)6-14-9/h1-6H,(H,16,17)
InChIKeyVGHINGDPDPNTTR-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-chloropyrazine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-chloropyrazine-2-carboxamide (CID 71655577) is N-(4-bromophenyl)-5-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-chloropyrazine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-chloropyrazine-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1cnc(Cl)cn1.
What is the InChIKey of N-(4-bromophenyl)-5-chloropyrazine-2-carboxamide?
The InChIKey is VGHINGDPDPNTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O/c12-7-1-3-8(4-2-7)16-11(17)9-5-15-10(13)6-14-9/h1-6H,(H,16,17).
What are the key properties of N-(4-bromophenyl)-5-chloropyrazine-2-carboxamide?
N-(4-bromophenyl)-5-chloropyrazine-2-carboxamide has a molecular weight of 312.55 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-chloropyrazine-2-carboxamide is sourced from PubChem (CID 71655577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).