(6-chloro-3-cyclopropylpyridazin-4-yl)methanol

C8H9ClN2O — CID 171431667

IUPAC(6-chloro-3-cyclopropylpyridazin-4-yl)methanol
SMILESOCc1cc(Cl)nnc1C1CC1
InChIInChI=1S/C8H9ClN2O/c9-7-3-6(4-12)8(11-10-7)5-1-2-5/h3,5,12H,1-2,4H2
InChIKeyDXHMYXZPLCFRKV-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.50
Rot. Bonds2

About (6-chloro-3-cyclopropylpyridazin-4-yl)methanol

(6-chloro-3-cyclopropylpyridazin-4-yl)methanol (PubChem CID 171431667) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is (6-chloro-3-cyclopropylpyridazin-4-yl)methanol.

Molecular Properties

Compound Name(6-chloro-3-cyclopropylpyridazin-4-yl)methanol
PubChem CID171431667
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name(6-chloro-3-cyclopropylpyridazin-4-yl)methanol
SMILESOCc1cc(Cl)nnc1C1CC1
InChIInChI=1S/C8H9ClN2O/c9-7-3-6(4-12)8(11-10-7)5-1-2-5/h3,5,12H,1-2,4H2
InChIKeyDXHMYXZPLCFRKV-UHFFFAOYSA-N
XLogP1.50
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-cyclopropylpyridazin-4-yl)methanol?
The IUPAC name of (6-chloro-3-cyclopropylpyridazin-4-yl)methanol (CID 171431667) is (6-chloro-3-cyclopropylpyridazin-4-yl)methanol.
What is the SMILES notation for (6-chloro-3-cyclopropylpyridazin-4-yl)methanol?
The canonical SMILES for (6-chloro-3-cyclopropylpyridazin-4-yl)methanol is OCc1cc(Cl)nnc1C1CC1.
What is the InChIKey of (6-chloro-3-cyclopropylpyridazin-4-yl)methanol?
The InChIKey is DXHMYXZPLCFRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-7-3-6(4-12)8(11-10-7)5-1-2-5/h3,5,12H,1-2,4H2.
What are the key properties of (6-chloro-3-cyclopropylpyridazin-4-yl)methanol?
(6-chloro-3-cyclopropylpyridazin-4-yl)methanol has a molecular weight of 184.63 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-cyclopropylpyridazin-4-yl)methanol is sourced from PubChem (CID 171431667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).