5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid

C11H8BrNO3S — CID 79794866

IUPAC5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCc2ccc(Br)s2)cn1
InChIInChI=1S/C11H8BrNO3S/c12-10-4-2-8(17-10)6-16-7-1-3-9(11(14)15)13-5-7/h1-5H,6H2,(H,14,15)
InChIKeyBSZBLUBWEPEIRO-UHFFFAOYSA-N
MW314.16 g/mol
LogP3.18
Rot. Bonds4

About 5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid

5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid (PubChem CID 79794866) has the molecular formula C11H8BrNO3S and a molecular weight of 314.16 g/mol. Its IUPAC name is 5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid
PubChem CID79794866
Molecular FormulaC11H8BrNO3S
Molecular Weight314.16 g/mol
Exact Mass312.94
IUPAC Name5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCc2ccc(Br)s2)cn1
InChIInChI=1S/C11H8BrNO3S/c12-10-4-2-8(17-10)6-16-7-1-3-9(11(14)15)13-5-7/h1-5H,6H2,(H,14,15)
InChIKeyBSZBLUBWEPEIRO-UHFFFAOYSA-N
XLogP3.18
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[(5-bromothiophen-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid
CID 79799402
5-[(5-bromothiophen-2-yl)methoxy]-2-fluoropyridine
CID 115371625
5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490955
5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793811
5-[(2-bromo-5-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
CID 79794336
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
5-(4-bromophenoxy)pyridine-2-carboxylic acid
CID 23335277
5-but-2-ynoxypyridine-2-carboxylic acid
CID 67979507
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
CID 79793898
5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
CID 79794070
3-[(5-bromothiophen-2-yl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79158007

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid (CID 79794866) is 5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid is O=C(O)c1ccc(OCc2ccc(Br)s2)cn1.
What is the InChIKey of 5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is BSZBLUBWEPEIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3S/c12-10-4-2-8(17-10)6-16-7-1-3-9(11(14)15)13-5-7/h1-5H,6H2,(H,14,15).
What are the key properties of 5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid?
5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 314.16 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79794866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).