8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine

C13H6BrClFNO — CID 86658472

IUPAC8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine
SMILESC=C1c2cc(Br)ccc2Oc2c(F)cc(Cl)nc21
InChIInChI=1S/C13H6BrClFNO/c1-6-8-4-7(14)2-3-10(8)18-13-9(16)5-11(15)17-12(6)13/h2-5H,1H2
InChIKeyCOIKONHRGJCXNQ-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.80
Rot. Bonds

About 8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine

8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine (PubChem CID 86658472) has the molecular formula C13H6BrClFNO and a molecular weight of 326.55 g/mol. Its IUPAC name is 8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine.

Molecular Properties

Compound Name8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine
PubChem CID86658472
Molecular FormulaC13H6BrClFNO
Molecular Weight326.55 g/mol
Exact Mass324.93
IUPAC Name8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine
SMILESC=C1c2cc(Br)ccc2Oc2c(F)cc(Cl)nc21
InChIInChI=1S/C13H6BrClFNO/c1-6-8-4-7(14)2-3-10(8)18-13-9(16)5-11(15)17-12(6)13/h2-5H,1H2
InChIKeyCOIKONHRGJCXNQ-UHFFFAOYSA-N
XLogP4.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.80
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 8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine?
The IUPAC name of 8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine (CID 86658472) is 8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine.
What is the SMILES notation for 8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine?
The canonical SMILES for 8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine is C=C1c2cc(Br)ccc2Oc2c(F)cc(Cl)nc21.
What is the InChIKey of 8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine?
The InChIKey is COIKONHRGJCXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClFNO/c1-6-8-4-7(14)2-3-10(8)18-13-9(16)5-11(15)17-12(6)13/h2-5H,1H2.
What are the key properties of 8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine?
8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine has a molecular weight of 326.55 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-4-fluoro-10-methylidenechromeno[3,2-b]pyridine is sourced from PubChem (CID 86658472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).