methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate

C9H6ClNO3 — CID 178038672

IUPACmethyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2cc(Cl)oc12
InChIInChI=1S/C9H6ClNO3/c1-13-9(12)5-2-3-11-6-4-7(10)14-8(5)6/h2-4H,1H3
InChIKeyXYKDHEKRYNUHKO-UHFFFAOYSA-N
MW211.60 g/mol
LogP2.27
Rot. Bonds1

About methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate

methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate (PubChem CID 178038672) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate
PubChem CID178038672
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Namemethyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate
SMILESCOC(=O)c1ccnc2cc(Cl)oc12
InChIInChI=1S/C9H6ClNO3/c1-13-9(12)5-2-3-11-6-4-7(10)14-8(5)6/h2-4H,1H3
InChIKeyXYKDHEKRYNUHKO-UHFFFAOYSA-N
XLogP2.27
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate?
The IUPAC name of methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate (CID 178038672) is methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate is COC(=O)c1ccnc2cc(Cl)oc12.
What is the InChIKey of methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate?
The InChIKey is XYKDHEKRYNUHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c1-13-9(12)5-2-3-11-6-4-7(10)14-8(5)6/h2-4H,1H3.
What are the key properties of methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate?
methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate has a molecular weight of 211.60 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate is sourced from PubChem (CID 178038672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).