6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine

C11H10ClNO — CID 130013859

IUPAC6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine
SMILESClc1cccc2c3c(oc12)CCNC3
InChIInChI=1S/C11H10ClNO/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9/h1-3,13H,4-6H2
InChIKeyVEQHLQKQAPWMPH-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.73
Rot. Bonds

About 6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine

6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine (PubChem CID 130013859) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine
PubChem CID130013859
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine
SMILESClc1cccc2c3c(oc12)CCNC3
InChIInChI=1S/C11H10ClNO/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9/h1-3,13H,4-6H2
InChIKeyVEQHLQKQAPWMPH-UHFFFAOYSA-N
XLogP2.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine (CID 130013859) is 6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine is Clc1cccc2c3c(oc12)CCNC3.
What is the InChIKey of 6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine?
The InChIKey is VEQHLQKQAPWMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9/h1-3,13H,4-6H2.
What are the key properties of 6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine?
6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine has a molecular weight of 207.66 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 130013859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).