6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine

C11H6ClN3O — CID 171512492

IUPAC6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine
SMILESClc1cnc2c(-c3cncnc3)coc2c1
InChIInChI=1S/C11H6ClN3O/c12-8-1-10-11(15-4-8)9(5-16-10)7-2-13-6-14-3-7/h1-6H
InChIKeyQOMYXZMCKQRNJE-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.94
Rot. Bonds1

About 6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine

6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine (PubChem CID 171512492) has the molecular formula C11H6ClN3O and a molecular weight of 231.64 g/mol. Its IUPAC name is 6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine
PubChem CID171512492
Molecular FormulaC11H6ClN3O
Molecular Weight231.64 g/mol
Exact Mass231.02
IUPAC Name6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine
SMILESClc1cnc2c(-c3cncnc3)coc2c1
InChIInChI=1S/C11H6ClN3O/c12-8-1-10-11(15-4-8)9(5-16-10)7-2-13-6-14-3-7/h1-6H
InChIKeyQOMYXZMCKQRNJE-UHFFFAOYSA-N
XLogP2.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine?
The IUPAC name of 6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine (CID 171512492) is 6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine.
What is the SMILES notation for 6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine?
The canonical SMILES for 6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine is Clc1cnc2c(-c3cncnc3)coc2c1.
What is the InChIKey of 6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine?
The InChIKey is QOMYXZMCKQRNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O/c12-8-1-10-11(15-4-8)9(5-16-10)7-2-13-6-14-3-7/h1-6H.
What are the key properties of 6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine?
6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine has a molecular weight of 231.64 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-pyrimidin-5-ylfuro[3,2-b]pyridine is sourced from PubChem (CID 171512492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).