N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide

C12H9ClFN3O2 — CID 20866826

IUPACN-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1nccnc1CO
InChIInChI=1S/C12H9ClFN3O2/c13-8-5-7(1-2-9(8)14)17-12(19)11-10(6-18)15-3-4-16-11/h1-5,18H,6H2,(H,17,19)
InChIKeyBKXFHYRRPATMON-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.01
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide

N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide (PubChem CID 20866826) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
PubChem CID20866826
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1nccnc1CO
InChIInChI=1S/C12H9ClFN3O2/c13-8-5-7(1-2-9(8)14)17-12(19)11-10(6-18)15-3-4-16-11/h1-5,18H,6H2,(H,17,19)
InChIKeyBKXFHYRRPATMON-UHFFFAOYSA-N
XLogP2.01
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
CID 20866916
ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate
CID 23633120
N-(3-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521373
N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 58941929
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide
CID 123163762
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 119100107
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859321
N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474858
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide (CID 20866826) is N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1nccnc1CO.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
The InChIKey is BKXFHYRRPATMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c13-8-5-7(1-2-9(8)14)17-12(19)11-10(6-18)15-3-4-16-11/h1-5,18H,6H2,(H,17,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide has a molecular weight of 281.67 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 20866826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).