4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine

C12H9BrClFN2O — CID 166484305

IUPAC4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine
SMILESFC1(COc2ncc(Br)c3cc(Cl)ncc23)CC1
InChIInChI=1S/C12H9BrClFN2O/c13-9-5-17-11(18-6-12(15)1-2-12)8-4-16-10(14)3-7(8)9/h3-5H,1-2,6H2
InChIKeyZWJOLEAEYAHBJF-UHFFFAOYSA-N
MW331.57 g/mol
LogP3.93
Rot. Bonds3

About 4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine

4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine (PubChem CID 166484305) has the molecular formula C12H9BrClFN2O and a molecular weight of 331.57 g/mol. Its IUPAC name is 4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine.

Molecular Properties

Compound Name4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine
PubChem CID166484305
Molecular FormulaC12H9BrClFN2O
Molecular Weight331.57 g/mol
Exact Mass329.96
IUPAC Name4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine
SMILESFC1(COc2ncc(Br)c3cc(Cl)ncc23)CC1
InChIInChI=1S/C12H9BrClFN2O/c13-9-5-17-11(18-6-12(15)1-2-12)8-4-16-10(14)3-7(8)9/h3-5H,1-2,6H2
InChIKeyZWJOLEAEYAHBJF-UHFFFAOYSA-N
XLogP3.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-1-methoxy-2,7-naphthyridine
CID 137928487
1-Chloro-8-(4-fluorophenoxy)-2,7-naphthyridine
CID 118875058
4-Bromo-8-chloro-1-(3-fluorophenoxy)-2,7-naphthyridine
CID 118888052
1-Chloro-8-(3-fluorophenoxy)-2,7-naphthyridine
CID 118888210
[3-[(4-bromo-6-chloro-2,7-naphthyridin-1-yl)oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 165117482
4-(2-Azidopropan-2-yl)-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine
CID 165380806
4-(2-Azidopropan-2-yl)-6-chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridine
CID 165380882
4-(2-Azidopropan-2-yl)-6-chloro-1-(2,2-difluoropropoxy)-2,7-naphthyridine
CID 165380908
4-(2-Azidopropan-2-yl)-6-chloro-1-(2,2,2-trifluoroethoxy)-2,7-naphthyridine
CID 165380970
4-(2-Azidopropan-2-yl)-6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridine
CID 165380975
4-(2-Azidopropan-2-yl)-6-chloro-1-(1,1-difluoropropan-2-yloxy)-2,7-naphthyridine
CID 165381006
4-(2-Azidopropan-2-yl)-6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridine
CID 165381107

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine?
The IUPAC name of 4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine (CID 166484305) is 4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine.
What is the SMILES notation for 4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine?
The canonical SMILES for 4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine is FC1(COc2ncc(Br)c3cc(Cl)ncc23)CC1.
What is the InChIKey of 4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine?
The InChIKey is ZWJOLEAEYAHBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O/c13-9-5-17-11(18-6-12(15)1-2-12)8-4-16-10(14)3-7(8)9/h3-5H,1-2,6H2.
What are the key properties of 4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine?
4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine has a molecular weight of 331.57 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine is sourced from PubChem (CID 166484305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).