N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide

C11H7ClFN3O — CID 4162326

IUPACN-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cnccn1
InChIInChI=1S/C11H7ClFN3O/c12-7-1-2-9(8(13)5-7)16-11(17)10-6-14-3-4-15-10/h1-6H,(H,16,17)
InChIKeyYDNNCZRKQWSUDQ-UHFFFAOYSA-N
MW251.65 g/mol
LogP2.52
Rot. Bonds2

About N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide

N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 4162326) has the molecular formula C11H7ClFN3O and a molecular weight of 251.65 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide
PubChem CID4162326
Molecular FormulaC11H7ClFN3O
Molecular Weight251.65 g/mol
Exact Mass251.03
IUPAC NameN-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cnccn1
InChIInChI=1S/C11H7ClFN3O/c12-7-1-2-9(8(13)5-7)16-11(17)10-6-14-3-4-15-10/h1-6H,(H,16,17)
InChIKeyYDNNCZRKQWSUDQ-UHFFFAOYSA-N
XLogP2.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.65
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 803568
CID 803568
CID 16773791
CID 16773791
CID 470912
CID 470912
CID 1245514
CID 1245514
CID 1459727
CID 1459727
CID 1459735
CID 1459735
CID 18074426
CID 18074426
CID 5042461
CID 5042461
CID 2447986
CID 2447986
CID 746701
CID 746701
CID 862120
CID 862120
CID 897509
CID 897509

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide (CID 4162326) is N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(Cl)cc1F)c1cnccn1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is YDNNCZRKQWSUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O/c12-7-1-2-9(8(13)5-7)16-11(17)10-6-14-3-4-15-10/h1-6H,(H,16,17).
What are the key properties of N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide?
N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 251.65 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 4162326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).