2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol

C9H13ClN2O — CID 14349841

IUPAC2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol
SMILESCc1cc(C(C)(C)CO)c(Cl)nn1
InChIInChI=1S/C9H13ClN2O/c1-6-4-7(8(10)12-11-6)9(2,3)5-13/h4,13H,5H2,1-3H3
InChIKeyFLWHCYNERHFUTP-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.71
Rot. Bonds2

About 2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol

2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol (PubChem CID 14349841) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol
PubChem CID14349841
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol
SMILESCc1cc(C(C)(C)CO)c(Cl)nn1
InChIInChI=1S/C9H13ClN2O/c1-6-4-7(8(10)12-11-6)9(2,3)5-13/h4,13H,5H2,1-3H3
InChIKeyFLWHCYNERHFUTP-UHFFFAOYSA-N
XLogP1.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol (CID 14349841) is 2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol is Cc1cc(C(C)(C)CO)c(Cl)nn1.
What is the InChIKey of 2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol?
The InChIKey is FLWHCYNERHFUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6-4-7(8(10)12-11-6)9(2,3)5-13/h4,13H,5H2,1-3H3.
What are the key properties of 2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol?
2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-methylpyridazin-4-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 14349841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).