4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine

C14H13BrFNO3 — CID 66653354

IUPAC4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine
SMILESCOCOc1cc(OCc2ccncc2)c(Br)cc1F
InChIInChI=1S/C14H13BrFNO3/c1-18-9-20-14-7-13(11(15)6-12(14)16)19-8-10-2-4-17-5-3-10/h2-7H,8-9H2,1H3
InChIKeyNMDXHBFBYHPTCT-UHFFFAOYSA-N
MW342.16 g/mol
LogP3.54
Rot. Bonds6

About 4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine

4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine (PubChem CID 66653354) has the molecular formula C14H13BrFNO3 and a molecular weight of 342.16 g/mol. Its IUPAC name is 4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine
PubChem CID66653354
Molecular FormulaC14H13BrFNO3
Molecular Weight342.16 g/mol
Exact Mass341.01
IUPAC Name4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine
SMILESCOCOc1cc(OCc2ccncc2)c(Br)cc1F
InChIInChI=1S/C14H13BrFNO3/c1-18-9-20-14-7-13(11(15)6-12(14)16)19-8-10-2-4-17-5-3-10/h2-7H,8-9H2,1H3
InChIKeyNMDXHBFBYHPTCT-UHFFFAOYSA-N
XLogP3.54
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
CID 63598643
2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol
CID 159809737
5-bromo-2-fluoro-4-(methoxymethoxy)benzaldehyde
CID 135380476
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686491
[2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol
CID 167103502
N-[[3-bromo-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63062502
4-[(2,3-difluorophenoxy)methyl]pyridine
CID 141089252
3-bromo-4-(pyridin-4-ylmethoxy)benzoic acid
CID 63050770
2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene
CID 57310009
4-[(2-fluoro-3-methylphenoxy)methyl]pyridine
CID 107661921
4-[(2,5-dibromothiophen-3-yl)oxymethyl]pyridine
CID 132537424

Frequently Asked Questions

What is the IUPAC name of 4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine?
The IUPAC name of 4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine (CID 66653354) is 4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine?
The canonical SMILES for 4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine is COCOc1cc(OCc2ccncc2)c(Br)cc1F.
What is the InChIKey of 4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine?
The InChIKey is NMDXHBFBYHPTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3/c1-18-9-20-14-7-13(11(15)6-12(14)16)19-8-10-2-4-17-5-3-10/h2-7H,8-9H2,1H3.
What are the key properties of 4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine?
4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine has a molecular weight of 342.16 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine is sourced from PubChem (CID 66653354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).