N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide

C11H8BrF2N3O — CID 144761307

IUPACN-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide
SMILESO=C(Nc1cnc(Br)cn1)C1C(F)=CC=CC1F
InChIInChI=1S/C11H8BrF2N3O/c12-8-4-16-9(5-15-8)17-11(18)10-6(13)2-1-3-7(10)14/h1-6,10H,(H,16,17,18)
InChIKeyLPPJQJCIVQOKMO-UHFFFAOYSA-N
MW316.11 g/mol
LogP2.56
Rot. Bonds2

About N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide

N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide (PubChem CID 144761307) has the molecular formula C11H8BrF2N3O and a molecular weight of 316.11 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide
PubChem CID144761307
Molecular FormulaC11H8BrF2N3O
Molecular Weight316.11 g/mol
Exact Mass314.98
IUPAC NameN-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide
SMILESO=C(Nc1cnc(Br)cn1)C1C(F)=CC=CC1F
InChIInChI=1S/C11H8BrF2N3O/c12-8-4-16-9(5-15-8)17-11(18)10-6(13)2-1-3-7(10)14/h1-6,10H,(H,16,17,18)
InChIKeyLPPJQJCIVQOKMO-UHFFFAOYSA-N
XLogP2.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide (CID 144761307) is N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide is O=C(Nc1cnc(Br)cn1)C1C(F)=CC=CC1F.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide?
The InChIKey is LPPJQJCIVQOKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3O/c12-8-4-16-9(5-15-8)17-11(18)10-6(13)2-1-3-7(10)14/h1-6,10H,(H,16,17,18).
What are the key properties of N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide?
N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide has a molecular weight of 316.11 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-2,6-difluorocyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 144761307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).