N'-amino-4-chloropyridine-2-carboximidamide

C6H7ClN4 — CID 75032997

IUPACN'-amino-4-chloropyridine-2-carboximidamide
SMILESNN=C(N)c1cc(Cl)ccn1
InChIInChI=1S/C6H7ClN4/c7-4-1-2-10-5(3-4)6(8)11-9/h1-3H,9H2,(H2,8,11)
InChIKeySBHVCNJYBNOYDE-UHFFFAOYSA-N
MW170.60 g/mol
LogP0.31
Rot. Bonds1

About N'-amino-4-chloropyridine-2-carboximidamide

N'-amino-4-chloropyridine-2-carboximidamide (PubChem CID 75032997) has the molecular formula C6H7ClN4 and a molecular weight of 170.60 g/mol. Its IUPAC name is N'-amino-4-chloropyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-chloropyridine-2-carboximidamide
PubChem CID75032997
Molecular FormulaC6H7ClN4
Molecular Weight170.60 g/mol
Exact Mass170.04
IUPAC NameN'-amino-4-chloropyridine-2-carboximidamide
SMILESNN=C(N)c1cc(Cl)ccn1
InChIInChI=1S/C6H7ClN4/c7-4-1-2-10-5(3-4)6(8)11-9/h1-3H,9H2,(H2,8,11)
InChIKeySBHVCNJYBNOYDE-UHFFFAOYSA-N
XLogP0.31
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-chloropyridine-2-carboximidamide?
The IUPAC name of N'-amino-4-chloropyridine-2-carboximidamide (CID 75032997) is N'-amino-4-chloropyridine-2-carboximidamide.
What is the SMILES notation for N'-amino-4-chloropyridine-2-carboximidamide?
The canonical SMILES for N'-amino-4-chloropyridine-2-carboximidamide is NN=C(N)c1cc(Cl)ccn1.
What is the InChIKey of N'-amino-4-chloropyridine-2-carboximidamide?
The InChIKey is SBHVCNJYBNOYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4/c7-4-1-2-10-5(3-4)6(8)11-9/h1-3H,9H2,(H2,8,11).
What are the key properties of N'-amino-4-chloropyridine-2-carboximidamide?
N'-amino-4-chloropyridine-2-carboximidamide has a molecular weight of 170.60 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-chloropyridine-2-carboximidamide is sourced from PubChem (CID 75032997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).