8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

C16H14FN3O2 — CID 121379083

IUPAC8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESCn1ncc2c(F)cc(-c3cncc4c3COCC4O)cc21
InChIInChI=1S/C16H14FN3O2/c1-20-15-3-9(2-14(17)12(15)6-19-20)10-4-18-5-11-13(10)7-22-8-16(11)21/h2-6,16,21H,7-8H2,1H3
InChIKeyJYRMIZIVSXMZQL-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.34
Rot. Bonds1

About 8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (PubChem CID 121379083) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
PubChem CID121379083
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESCn1ncc2c(F)cc(-c3cncc4c3COCC4O)cc21
InChIInChI=1S/C16H14FN3O2/c1-20-15-3-9(2-14(17)12(15)6-19-20)10-4-18-5-11-13(10)7-22-8-16(11)21/h2-6,16,21H,7-8H2,1H3
InChIKeyJYRMIZIVSXMZQL-UHFFFAOYSA-N
XLogP2.34
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The IUPAC name of 8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (CID 121379083) is 8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.
What is the SMILES notation for 8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The canonical SMILES for 8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is Cn1ncc2c(F)cc(-c3cncc4c3COCC4O)cc21.
What is the InChIKey of 8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The InChIKey is JYRMIZIVSXMZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-20-15-3-9(2-14(17)12(15)6-19-20)10-4-18-5-11-13(10)7-22-8-16(11)21/h2-6,16,21H,7-8H2,1H3.
What are the key properties of 8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol has a molecular weight of 299.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is sourced from PubChem (CID 121379083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).