6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol

C14H9ClFNO — CID 158263667

IUPAC6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol
SMILESOc1ccc(Cl)nc1C1=Cc2cc(F)ccc2C1
InChIInChI=1S/C14H9ClFNO/c15-13-4-3-12(18)14(17-13)10-5-8-1-2-11(16)7-9(8)6-10/h1-4,6-7,18H,5H2
InChIKeyKNDVIOMSDOFXQO-UHFFFAOYSA-N
MW261.68 g/mol
LogP3.68
Rot. Bonds1

About 6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol

6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol (PubChem CID 158263667) has the molecular formula C14H9ClFNO and a molecular weight of 261.68 g/mol. Its IUPAC name is 6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol
PubChem CID158263667
Molecular FormulaC14H9ClFNO
Molecular Weight261.68 g/mol
Exact Mass261.04
IUPAC Name6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol
SMILESOc1ccc(Cl)nc1C1=Cc2cc(F)ccc2C1
InChIInChI=1S/C14H9ClFNO/c15-13-4-3-12(18)14(17-13)10-5-8-1-2-11(16)7-9(8)6-10/h1-4,6-7,18H,5H2
InChIKeyKNDVIOMSDOFXQO-UHFFFAOYSA-N
XLogP3.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol?
The IUPAC name of 6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol (CID 158263667) is 6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol.
What is the SMILES notation for 6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol?
The canonical SMILES for 6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol is Oc1ccc(Cl)nc1C1=Cc2cc(F)ccc2C1.
What is the InChIKey of 6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol?
The InChIKey is KNDVIOMSDOFXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO/c15-13-4-3-12(18)14(17-13)10-5-8-1-2-11(16)7-9(8)6-10/h1-4,6-7,18H,5H2.
What are the key properties of 6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol?
6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol has a molecular weight of 261.68 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-fluoro-1H-inden-2-yl)pyridin-3-ol is sourced from PubChem (CID 158263667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).