methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate

C18H19BrFN3O4 — CID 135154375

IUPACmethyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(N2CCC(Oc3ccc(OC)nc3)CC2)nc1F
InChIInChI=1S/C18H19BrFN3O4/c1-25-15-4-3-12(10-21-15)27-11-5-7-23(8-6-11)17-14(19)9-13(16(20)22-17)18(24)26-2/h3-4,9-11H,5-8H2,1-2H3
InChIKeyBVEXKZYHQWPJRU-UHFFFAOYSA-N
MW440.27 g/mol
LogP3.22
Rot. Bonds5

About methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate

methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 135154375) has the molecular formula C18H19BrFN3O4 and a molecular weight of 440.27 g/mol. Its IUPAC name is methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate
PubChem CID135154375
Molecular FormulaC18H19BrFN3O4
Molecular Weight440.27 g/mol
Exact Mass439.05
IUPAC Namemethyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)c(N2CCC(Oc3ccc(OC)nc3)CC2)nc1F
InChIInChI=1S/C18H19BrFN3O4/c1-25-15-4-3-12(10-21-15)27-11-5-7-23(8-6-11)17-14(19)9-13(16(20)22-17)18(24)26-2/h3-4,9-11H,5-8H2,1-2H3
InChIKeyBVEXKZYHQWPJRU-UHFFFAOYSA-N
XLogP3.22
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-N,5-dimethylpyridine-3-carboxamide
CID 135154350
1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 135154722
methyl 2-cyano-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methylpyridine-3-carboxylate
CID 129278018
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1H-pyrazolo[5,4-b]pyridine
CID 135154189
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
CID 135154625
1-[2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-2,2-dimethylpropan-1-one
CID 135154709
2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine
CID 135154666
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1-methylcyclopentyl)pyridazine-3-carboxamide
CID 135154077
4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine
CID 135154118
2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylic acid
CID 129277787
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 129277993
7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one
CID 135154104

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate (CID 135154375) is methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cc(Br)c(N2CCC(Oc3ccc(OC)nc3)CC2)nc1F.
What is the InChIKey of methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is BVEXKZYHQWPJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O4/c1-25-15-4-3-12(10-21-15)27-11-5-7-23(8-6-11)17-14(19)9-13(16(20)22-17)18(24)26-2/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate?
methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 440.27 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-fluoro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 135154375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).