4-chloro-2-methylfuro[3,2-c]pyridine

C8H6ClNO — CID 10678667

IUPAC4-chloro-2-methylfuro[3,2-c]pyridine
SMILESCc1cc2c(Cl)nccc2o1
InChIInChI=1S/C8H6ClNO/c1-5-4-6-7(11-5)2-3-10-8(6)9/h2-4H,1H3
InChIKeyLRXMMHCYTFNTEL-UHFFFAOYSA-N
MW167.59 g/mol
LogP2.79
Rot. Bonds

About 4-chloro-2-methylfuro[3,2-c]pyridine

4-chloro-2-methylfuro[3,2-c]pyridine (PubChem CID 10678667) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is 4-chloro-2-methylfuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-2-methylfuro[3,2-c]pyridine
PubChem CID10678667
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name4-chloro-2-methylfuro[3,2-c]pyridine
SMILESCc1cc2c(Cl)nccc2o1
InChIInChI=1S/C8H6ClNO/c1-5-4-6-7(11-5)2-3-10-8(6)9/h2-4H,1H3
InChIKeyLRXMMHCYTFNTEL-UHFFFAOYSA-N
XLogP2.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 52.79
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 4-chloro-2-methylfuro[3,2-c]pyridine?
The IUPAC name of 4-chloro-2-methylfuro[3,2-c]pyridine (CID 10678667) is 4-chloro-2-methylfuro[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-2-methylfuro[3,2-c]pyridine?
The canonical SMILES for 4-chloro-2-methylfuro[3,2-c]pyridine is Cc1cc2c(Cl)nccc2o1.
What is the InChIKey of 4-chloro-2-methylfuro[3,2-c]pyridine?
The InChIKey is LRXMMHCYTFNTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO/c1-5-4-6-7(11-5)2-3-10-8(6)9/h2-4H,1H3.
What are the key properties of 4-chloro-2-methylfuro[3,2-c]pyridine?
4-chloro-2-methylfuro[3,2-c]pyridine has a molecular weight of 167.59 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylfuro[3,2-c]pyridine is sourced from PubChem (CID 10678667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).