(5-chloropyridazin-3-yl)carbamic acid

C5H4ClN3O2 — CID 89288358

IUPAC(5-chloropyridazin-3-yl)carbamic acid
SMILESO=C(O)Nc1cc(Cl)cnn1
InChIInChI=1S/C5H4ClN3O2/c6-3-1-4(8-5(10)11)9-7-2-3/h1-2H,(H,8,9)(H,10,11)
InChIKeyQDMHYARTWOKFAI-UHFFFAOYSA-N
MW173.56 g/mol
LogP1.22
Rot. Bonds1

About (5-chloropyridazin-3-yl)carbamic acid

(5-chloropyridazin-3-yl)carbamic acid (PubChem CID 89288358) has the molecular formula C5H4ClN3O2 and a molecular weight of 173.56 g/mol. Its IUPAC name is (5-chloropyridazin-3-yl)carbamic acid.

Molecular Properties

Compound Name(5-chloropyridazin-3-yl)carbamic acid
PubChem CID89288358
Molecular FormulaC5H4ClN3O2
Molecular Weight173.56 g/mol
Exact Mass173.00
IUPAC Name(5-chloropyridazin-3-yl)carbamic acid
SMILESO=C(O)Nc1cc(Cl)cnn1
InChIInChI=1S/C5H4ClN3O2/c6-3-1-4(8-5(10)11)9-7-2-3/h1-2H,(H,8,9)(H,10,11)
InChIKeyQDMHYARTWOKFAI-UHFFFAOYSA-N
XLogP1.22
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloropyridazin-3-yl)carbamic acid?
The IUPAC name of (5-chloropyridazin-3-yl)carbamic acid (CID 89288358) is (5-chloropyridazin-3-yl)carbamic acid.
What is the SMILES notation for (5-chloropyridazin-3-yl)carbamic acid?
The canonical SMILES for (5-chloropyridazin-3-yl)carbamic acid is O=C(O)Nc1cc(Cl)cnn1.
What is the InChIKey of (5-chloropyridazin-3-yl)carbamic acid?
The InChIKey is QDMHYARTWOKFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O2/c6-3-1-4(8-5(10)11)9-7-2-3/h1-2H,(H,8,9)(H,10,11).
What are the key properties of (5-chloropyridazin-3-yl)carbamic acid?
(5-chloropyridazin-3-yl)carbamic acid has a molecular weight of 173.56 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyridazin-3-yl)carbamic acid is sourced from PubChem (CID 89288358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).