[5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol

C16H14FN3O — CID 135188081

IUPAC[5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol
SMILESOCc1cc(-c2cc3ccc(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C16H14FN3O/c17-12-2-1-10-6-15(11-5-13(9-21)19-18-8-11)20(14-3-4-14)16(10)7-12/h1-2,5-8,14,21H,3-4,9H2
InChIKeyNFJHMSXIRAARMI-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.06
Rot. Bonds3

About [5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol

[5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol (PubChem CID 135188081) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is [5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol
PubChem CID135188081
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name[5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol
SMILESOCc1cc(-c2cc3ccc(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C16H14FN3O/c17-12-2-1-10-6-15(11-5-13(9-21)19-18-8-11)20(14-3-4-14)16(10)7-12/h1-2,5-8,14,21H,3-4,9H2
InChIKeyNFJHMSXIRAARMI-UHFFFAOYSA-N
XLogP3.06
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol?
The IUPAC name of [5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol (CID 135188081) is [5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol.
What is the SMILES notation for [5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol?
The canonical SMILES for [5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol is OCc1cc(-c2cc3ccc(F)cc3n2C2CC2)cnn1.
What is the InChIKey of [5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol?
The InChIKey is NFJHMSXIRAARMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-12-2-1-10-6-15(11-5-13(9-21)19-18-8-11)20(14-3-4-14)16(10)7-12/h1-2,5-8,14,21H,3-4,9H2.
What are the key properties of [5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol?
[5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol has a molecular weight of 283.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol is sourced from PubChem (CID 135188081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).