4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine

C14H15BrFN3O — CID 175469197

IUPAC4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine
SMILESCN1CCCC1COc1nc2cnccc2c(Br)c1F
InChIInChI=1S/C14H15BrFN3O/c1-19-6-2-3-9(19)8-20-14-13(16)12(15)10-4-5-17-7-11(10)18-14/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyXPZDXGKPENENFA-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.00
Rot. Bonds3

About 4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine

4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine (PubChem CID 175469197) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine.

Molecular Properties

Compound Name4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine
PubChem CID175469197
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine
SMILESCN1CCCC1COc1nc2cnccc2c(Br)c1F
InChIInChI=1S/C14H15BrFN3O/c1-19-6-2-3-9(19)8-20-14-13(16)12(15)10-4-5-17-7-11(10)18-14/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyXPZDXGKPENENFA-UHFFFAOYSA-N
XLogP3.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile
CID 171413253
2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine
CID 168910926
2-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-amine
CID 117096154
3-[(1-methylpiperidin-2-yl)methoxy]quinoxalin-2-amine
CID 102988241
4-[(1-methylpiperidin-2-yl)methoxy]pyridin-3-amine
CID 65472260
5-bromo-2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine
CID 65469032
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 141201313
2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride
CID 19002688
[4-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 81250968
N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391574
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
2-methyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54335638

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine?
The IUPAC name of 4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine (CID 175469197) is 4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine.
What is the SMILES notation for 4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine?
The canonical SMILES for 4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine is CN1CCCC1COc1nc2cnccc2c(Br)c1F.
What is the InChIKey of 4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine?
The InChIKey is XPZDXGKPENENFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-19-6-2-3-9(19)8-20-14-13(16)12(15)10-4-5-17-7-11(10)18-14/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine?
4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine has a molecular weight of 340.20 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-1,7-naphthyridine is sourced from PubChem (CID 175469197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).