(5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate

C16H10BrFN2O2 — CID 55649038

IUPAC(5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate
SMILESO=C(OCc1ccc(F)c2cccnc12)c1cncc(Br)c1
InChIInChI=1S/C16H10BrFN2O2/c17-12-6-11(7-19-8-12)16(21)22-9-10-3-4-14(18)13-2-1-5-20-15(10)13/h1-8H,9H2
InChIKeyBBQPMAFPIGPHBH-UHFFFAOYSA-N
MW361.17 g/mol
LogP3.89
Rot. Bonds3

About (5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate

(5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate (PubChem CID 55649038) has the molecular formula C16H10BrFN2O2 and a molecular weight of 361.17 g/mol. Its IUPAC name is (5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Name(5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate
PubChem CID55649038
Molecular FormulaC16H10BrFN2O2
Molecular Weight361.17 g/mol
Exact Mass359.99
IUPAC Name(5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate
SMILESO=C(OCc1ccc(F)c2cccnc12)c1cncc(Br)c1
InChIInChI=1S/C16H10BrFN2O2/c17-12-6-11(7-19-8-12)16(21)22-9-10-3-4-14(18)13-2-1-5-20-15(10)13/h1-8H,9H2
InChIKeyBBQPMAFPIGPHBH-UHFFFAOYSA-N
XLogP3.89
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,4-difluorophenyl)methylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 50926048
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 50926049
(5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 55648920
(5-bromo-3-pyridinyl)methyl 3-amino-4-fluorobenzoate
CID 104808390
phenacyl 5-bromopyridine-3-carboxylate
CID 2586792
methyl 4-[(E)-(5-fluoroquinolin-8-yl)methoxyiminomethyl]benzoate
CID 60561393
[4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol
CID 110889549
ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate
CID 62013386
(5-fluoroquinolin-8-yl)methyl 1-propanoylpiperidine-3-carboxylate
CID 55996017
(2,6-dimethylphenyl) 5-bromopyridine-3-carboxylate
CID 8765718
(5-chloroquinolin-8-yl)methyl 6-bromo-1-methyl-2-oxoquinoline-4-carboxylate
CID 166365758
(5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 55649316

Frequently Asked Questions

What is the IUPAC name of (5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate?
The IUPAC name of (5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate (CID 55649038) is (5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate.
What is the SMILES notation for (5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate?
The canonical SMILES for (5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate is O=C(OCc1ccc(F)c2cccnc12)c1cncc(Br)c1.
What is the InChIKey of (5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate?
The InChIKey is BBQPMAFPIGPHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O2/c17-12-6-11(7-19-8-12)16(21)22-9-10-3-4-14(18)13-2-1-5-20-15(10)13/h1-8H,9H2.
What are the key properties of (5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate?
(5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate has a molecular weight of 361.17 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoroquinolin-8-yl)methyl 5-bromopyridine-3-carboxylate is sourced from PubChem (CID 55649038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).