4-amino-3-chloro-2H-pyran-2-carboximidamide

C6H8ClN3O — CID 175378201

IUPAC4-amino-3-chloro-2H-pyran-2-carboximidamide
SMILES[H]/N=C(\N)C1OC=CC(N)=C1Cl
InChIInChI=1S/C6H8ClN3O/c7-4-3(8)1-2-11-5(4)6(9)10/h1-2,5H,8H2,(H3,9,10)
InChIKeyOXNWJJQZYQRJRB-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.24
Rot. Bonds1

About 4-amino-3-chloro-2H-pyran-2-carboximidamide

4-amino-3-chloro-2H-pyran-2-carboximidamide (PubChem CID 175378201) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 4-amino-3-chloro-2H-pyran-2-carboximidamide.

Molecular Properties

Compound Name4-amino-3-chloro-2H-pyran-2-carboximidamide
PubChem CID175378201
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name4-amino-3-chloro-2H-pyran-2-carboximidamide
SMILES[H]/N=C(\N)C1OC=CC(N)=C1Cl
InChIInChI=1S/C6H8ClN3O/c7-4-3(8)1-2-11-5(4)6(9)10/h1-2,5H,8H2,(H3,9,10)
InChIKeyOXNWJJQZYQRJRB-UHFFFAOYSA-N
XLogP0.24
TPSA85.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-2H-pyran-2-carboximidamide?
The IUPAC name of 4-amino-3-chloro-2H-pyran-2-carboximidamide (CID 175378201) is 4-amino-3-chloro-2H-pyran-2-carboximidamide.
What is the SMILES notation for 4-amino-3-chloro-2H-pyran-2-carboximidamide?
The canonical SMILES for 4-amino-3-chloro-2H-pyran-2-carboximidamide is [H]/N=C(\N)C1OC=CC(N)=C1Cl.
What is the InChIKey of 4-amino-3-chloro-2H-pyran-2-carboximidamide?
The InChIKey is OXNWJJQZYQRJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c7-4-3(8)1-2-11-5(4)6(9)10/h1-2,5H,8H2,(H3,9,10).
What are the key properties of 4-amino-3-chloro-2H-pyran-2-carboximidamide?
4-amino-3-chloro-2H-pyran-2-carboximidamide has a molecular weight of 173.60 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-2H-pyran-2-carboximidamide is sourced from PubChem (CID 175378201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).