N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide

C12H10ClN3O3 — CID 107595847

IUPACN-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc(Cl)cn2)cc1O
InChIInChI=1S/C12H10ClN3O3/c1-19-9-3-2-7(4-8(9)17)12(18)16-11-6-14-10(13)5-15-11/h2-6,17H,1H3,(H,15,16,18)
InChIKeyJILJFXWMCQJTRE-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.10
Rot. Bonds3

About N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide

N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide (PubChem CID 107595847) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide
PubChem CID107595847
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC NameN-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc(Cl)cn2)cc1O
InChIInChI=1S/C12H10ClN3O3/c1-19-9-3-2-7(4-8(9)17)12(18)16-11-6-14-10(13)5-15-11/h2-6,17H,1H3,(H,15,16,18)
InChIKeyJILJFXWMCQJTRE-UHFFFAOYSA-N
XLogP2.10
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide
CID 104964229
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methylbenzamide
CID 107595708
3-hydroxy-4-methoxy-N-(1,2-oxazol-3-yl)benzamide
CID 79725967
3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide
CID 107595855
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60693051
N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
CID 104964161
3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide
CID 104964163
N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide
CID 107595711
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
N-(2,5-dichloro-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 104727379
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide (CID 107595847) is N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2cnc(Cl)cn2)cc1O.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is JILJFXWMCQJTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-19-9-3-2-7(4-8(9)17)12(18)16-11-6-14-10(13)5-15-11/h2-6,17H,1H3,(H,15,16,18).
What are the key properties of N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide?
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 279.68 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 107595847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).