7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine

C13H6BrClFNO — CID 86658479

IUPAC7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine
SMILESC=C1c2cc(Cl)ncc2Oc2c(F)cc(Br)cc21
InChIInChI=1S/C13H6BrClFNO/c1-6-8-4-12(15)17-5-11(8)18-13-9(6)2-7(14)3-10(13)16/h2-5H,1H2
InChIKeyNJCJRBMFELKUJX-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.80
Rot. Bonds

About 7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine

7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine (PubChem CID 86658479) has the molecular formula C13H6BrClFNO and a molecular weight of 326.55 g/mol. Its IUPAC name is 7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine.

Molecular Properties

Compound Name7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine
PubChem CID86658479
Molecular FormulaC13H6BrClFNO
Molecular Weight326.55 g/mol
Exact Mass324.93
IUPAC Name7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine
SMILESC=C1c2cc(Cl)ncc2Oc2c(F)cc(Br)cc21
InChIInChI=1S/C13H6BrClFNO/c1-6-8-4-12(15)17-5-11(8)18-13-9(6)2-7(14)3-10(13)16/h2-5H,1H2
InChIKeyNJCJRBMFELKUJX-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 7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine?
The IUPAC name of 7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine (CID 86658479) is 7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine.
What is the SMILES notation for 7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine?
The canonical SMILES for 7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine is C=C1c2cc(Cl)ncc2Oc2c(F)cc(Br)cc21.
What is the InChIKey of 7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine?
The InChIKey is NJCJRBMFELKUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClFNO/c1-6-8-4-12(15)17-5-11(8)18-13-9(6)2-7(14)3-10(13)16/h2-5H,1H2.
What are the key properties of 7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine?
7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]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 7-bromo-3-chloro-9-fluoro-5-methylidenechromeno[2,3-c]pyridine is sourced from PubChem (CID 86658479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).