[3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate

C6H4ClF2N3O2 — CID 175311825

IUPAC[3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate
SMILESNC(=O)Oc1cc(C(F)F)nnc1Cl
InChIInChI=1S/C6H4ClF2N3O2/c7-4-3(14-6(10)13)1-2(5(8)9)11-12-4/h1,5H,(H2,10,13)
InChIKeyDXMNGNHUYSRCSC-UHFFFAOYSA-N
MW223.57 g/mol
LogP1.53
Rot. Bonds2

About [3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate

[3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate (PubChem CID 175311825) has the molecular formula C6H4ClF2N3O2 and a molecular weight of 223.57 g/mol. Its IUPAC name is [3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate.

Molecular Properties

Compound Name[3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate
PubChem CID175311825
Molecular FormulaC6H4ClF2N3O2
Molecular Weight223.57 g/mol
Exact Mass223.00
IUPAC Name[3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate
SMILESNC(=O)Oc1cc(C(F)F)nnc1Cl
InChIInChI=1S/C6H4ClF2N3O2/c7-4-3(14-6(10)13)1-2(5(8)9)11-12-4/h1,5H,(H2,10,13)
InChIKeyDXMNGNHUYSRCSC-UHFFFAOYSA-N
XLogP1.53
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.57
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate?
The IUPAC name of [3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate (CID 175311825) is [3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate.
What is the SMILES notation for [3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate?
The canonical SMILES for [3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate is NC(=O)Oc1cc(C(F)F)nnc1Cl.
What is the InChIKey of [3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate?
The InChIKey is DXMNGNHUYSRCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2N3O2/c7-4-3(14-6(10)13)1-2(5(8)9)11-12-4/h1,5H,(H2,10,13).
What are the key properties of [3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate?
[3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate has a molecular weight of 223.57 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate is sourced from PubChem (CID 175311825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).