6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline

C12H10ClNO — CID 90101355

IUPAC6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline
SMILESClc1nc2c(c3ccccc13)CCCO2
InChIInChI=1S/C12H10ClNO/c13-11-9-5-2-1-4-8(9)10-6-3-7-15-12(10)14-11/h1-2,4-5H,3,6-7H2
InChIKeyYYKLQVLXZMACER-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.21
Rot. Bonds

About 6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline

6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline (PubChem CID 90101355) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline.

Molecular Properties

Compound Name6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline
PubChem CID90101355
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline
SMILESClc1nc2c(c3ccccc13)CCCO2
InChIInChI=1S/C12H10ClNO/c13-11-9-5-2-1-4-8(9)10-6-3-7-15-12(10)14-11/h1-2,4-5H,3,6-7H2
InChIKeyYYKLQVLXZMACER-UHFFFAOYSA-N
XLogP3.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.21
H-Bond Donors ≤ 50
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-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline?
The IUPAC name of 6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline (CID 90101355) is 6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline.
What is the SMILES notation for 6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline?
The canonical SMILES for 6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline is Clc1nc2c(c3ccccc13)CCCO2.
What is the InChIKey of 6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline?
The InChIKey is YYKLQVLXZMACER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-11-9-5-2-1-4-8(9)10-6-3-7-15-12(10)14-11/h1-2,4-5H,3,6-7H2.
What are the key properties of 6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline?
6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline has a molecular weight of 219.67 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline is sourced from PubChem (CID 90101355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).