7-chloro-5-nitrofuro[3,2-b]pyridine

C7H3ClN2O3 — CID 167359993

IUPAC7-chloro-5-nitrofuro[3,2-b]pyridine
SMILESO=[N+]([O-])c1cc(Cl)c2occc2n1
InChIInChI=1S/C7H3ClN2O3/c8-4-3-6(10(11)12)9-5-1-2-13-7(4)5/h1-3H
InChIKeyLOAFNFQWHAPEFH-UHFFFAOYSA-N
MW198.57 g/mol
LogP2.39
Rot. Bonds1

About 7-chloro-5-nitrofuro[3,2-b]pyridine

7-chloro-5-nitrofuro[3,2-b]pyridine (PubChem CID 167359993) has the molecular formula C7H3ClN2O3 and a molecular weight of 198.57 g/mol. Its IUPAC name is 7-chloro-5-nitrofuro[3,2-b]pyridine.

Molecular Properties

Compound Name7-chloro-5-nitrofuro[3,2-b]pyridine
PubChem CID167359993
Molecular FormulaC7H3ClN2O3
Molecular Weight198.57 g/mol
Exact Mass197.98
IUPAC Name7-chloro-5-nitrofuro[3,2-b]pyridine
SMILESO=[N+]([O-])c1cc(Cl)c2occc2n1
InChIInChI=1S/C7H3ClN2O3/c8-4-3-6(10(11)12)9-5-1-2-13-7(4)5/h1-3H
InChIKeyLOAFNFQWHAPEFH-UHFFFAOYSA-N
XLogP2.39
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.57
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitrofuro[3,2-b]pyridine
CID 10511213
1-(7-chlorofuro[3,2-b]pyridin-5-yl)ethanol
CID 163278154
7-nitrofuro[3,2-b]pyridine
CID 10607098
2,3-dichloro-4,6-dinitropyridine
CID 71429452
4-bromo-2-nitroquinoline
CID 150997000
2,4-dichloro-6-nitropyrimidine
CID 19391209
1,3-dinitroisoquinoline
CID 87506157
4-chloro-2-nitropyridine
CID 2762847
4-chloro-7-nitro-1,6-naphthyridine
CID 133060789
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
6-nitrofuro[3,2-b]pyridine
CID 174208193
2-bromo-3-chloro-4-methyl-6-nitropyridine
CID 118994473

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-nitrofuro[3,2-b]pyridine?
The IUPAC name of 7-chloro-5-nitrofuro[3,2-b]pyridine (CID 167359993) is 7-chloro-5-nitrofuro[3,2-b]pyridine.
What is the SMILES notation for 7-chloro-5-nitrofuro[3,2-b]pyridine?
The canonical SMILES for 7-chloro-5-nitrofuro[3,2-b]pyridine is O=[N+]([O-])c1cc(Cl)c2occc2n1.
What is the InChIKey of 7-chloro-5-nitrofuro[3,2-b]pyridine?
The InChIKey is LOAFNFQWHAPEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O3/c8-4-3-6(10(11)12)9-5-1-2-13-7(4)5/h1-3H.
What are the key properties of 7-chloro-5-nitrofuro[3,2-b]pyridine?
7-chloro-5-nitrofuro[3,2-b]pyridine has a molecular weight of 198.57 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-nitrofuro[3,2-b]pyridine is sourced from PubChem (CID 167359993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).