carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine

C9H6ClNO3 — CID 159986030

IUPACcarbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine
SMILESCc1cc2c(Cl)ccnc2o1.O=C=O
InChIInChI=1S/C8H6ClNO.CO2/c1-5-4-6-7(9)2-3-10-8(6)11-5;2-1-3/h2-4H,1H3;
InChIKeyOGIPSJAYXAFSBC-UHFFFAOYSA-N
MW211.60 g/mol
LogP2.21
Rot. Bonds

About carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine

carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine (PubChem CID 159986030) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine.

Molecular Properties

Compound Namecarbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine
PubChem CID159986030
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Namecarbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine
SMILESCc1cc2c(Cl)ccnc2o1.O=C=O
InChIInChI=1S/C8H6ClNO.CO2/c1-5-4-6-7(9)2-3-10-8(6)11-5;2-1-3/h2-4H,1H3;
InChIKeyOGIPSJAYXAFSBC-UHFFFAOYSA-N
XLogP2.21
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine?
The IUPAC name of carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine (CID 159986030) is carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine.
What is the SMILES notation for carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine?
The canonical SMILES for carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine is Cc1cc2c(Cl)ccnc2o1.O=C=O.
What is the InChIKey of carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine?
The InChIKey is OGIPSJAYXAFSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO.CO2/c1-5-4-6-7(9)2-3-10-8(6)11-5;2-1-3/h2-4H,1H3;.
What are the key properties of carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine?
carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine has a molecular weight of 211.60 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine is sourced from PubChem (CID 159986030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).