N-[(3-chloropyrazin-2-yl)methyl]formamide

C6H6ClN3O — CID 58902031

IUPACN-[(3-chloropyrazin-2-yl)methyl]formamide
SMILESO=CNCc1nccnc1Cl
InChIInChI=1S/C6H6ClN3O/c7-6-5(3-8-4-11)9-1-2-10-6/h1-2,4H,3H2,(H,8,11)
InChIKeyHLHMSDWJPCRESN-UHFFFAOYSA-N
MW171.59 g/mol
LogP0.38
Rot. Bonds3

About N-[(3-chloropyrazin-2-yl)methyl]formamide

N-[(3-chloropyrazin-2-yl)methyl]formamide (PubChem CID 58902031) has the molecular formula C6H6ClN3O and a molecular weight of 171.59 g/mol. Its IUPAC name is N-[(3-chloropyrazin-2-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(3-chloropyrazin-2-yl)methyl]formamide
PubChem CID58902031
Molecular FormulaC6H6ClN3O
Molecular Weight171.59 g/mol
Exact Mass171.02
IUPAC NameN-[(3-chloropyrazin-2-yl)methyl]formamide
SMILESO=CNCc1nccnc1Cl
InChIInChI=1S/C6H6ClN3O/c7-6-5(3-8-4-11)9-1-2-10-6/h1-2,4H,3H2,(H,8,11)
InChIKeyHLHMSDWJPCRESN-UHFFFAOYSA-N
XLogP0.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.59
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloropyrazin-2-yl)methyl]formamide?
The IUPAC name of N-[(3-chloropyrazin-2-yl)methyl]formamide (CID 58902031) is N-[(3-chloropyrazin-2-yl)methyl]formamide.
What is the SMILES notation for N-[(3-chloropyrazin-2-yl)methyl]formamide?
The canonical SMILES for N-[(3-chloropyrazin-2-yl)methyl]formamide is O=CNCc1nccnc1Cl.
What is the InChIKey of N-[(3-chloropyrazin-2-yl)methyl]formamide?
The InChIKey is HLHMSDWJPCRESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O/c7-6-5(3-8-4-11)9-1-2-10-6/h1-2,4H,3H2,(H,8,11).
What are the key properties of N-[(3-chloropyrazin-2-yl)methyl]formamide?
N-[(3-chloropyrazin-2-yl)methyl]formamide has a molecular weight of 171.59 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloropyrazin-2-yl)methyl]formamide is sourced from PubChem (CID 58902031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).