2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid

C14H6BrF2NO2S — CID 107354657

IUPAC2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Br)cs2)nc2cc(F)c(F)cc12
InChIInChI=1S/C14H6BrF2NO2S/c15-6-1-13(21-5-6)12-3-8(14(19)20)7-2-9(16)10(17)4-11(7)18-12/h1-5H,(H,19,20)
InChIKeyHFBKAIIAKDUCKZ-UHFFFAOYSA-N
MW370.17 g/mol
LogP4.70
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid

2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid (PubChem CID 107354657) has the molecular formula C14H6BrF2NO2S and a molecular weight of 370.17 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid
PubChem CID107354657
Molecular FormulaC14H6BrF2NO2S
Molecular Weight370.17 g/mol
Exact Mass368.93
IUPAC Name2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Br)cs2)nc2cc(F)c(F)cc12
InChIInChI=1S/C14H6BrF2NO2S/c15-6-1-13(21-5-6)12-3-8(14(19)20)7-2-9(16)10(17)4-11(7)18-12/h1-5H,(H,19,20)
InChIKeyHFBKAIIAKDUCKZ-UHFFFAOYSA-N
XLogP4.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-5,8-difluoroquinoline-4-carboxylic acid
CID 107354658
6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 80746977
2-(4-bromothiophen-2-yl)-6-fluoro-8-methylquinoline-4-carboxylic acid
CID 107354659
2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
6-bromo-7-fluoro-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 61357543
6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid
CID 107355263
4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid
CID 116899757
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
2-[4-(3-ethoxyphenyl)thiophen-2-yl]-6-fluoroquinoline-4-carboxylic acid
CID 156538238
6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 107355251
3-bromo-5-fluoro-1-benzothiophene-6-carboxylic acid
CID 130969510

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid (CID 107354657) is 2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid is O=C(O)c1cc(-c2cc(Br)cs2)nc2cc(F)c(F)cc12.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid?
The InChIKey is HFBKAIIAKDUCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrF2NO2S/c15-6-1-13(21-5-6)12-3-8(14(19)20)7-2-9(16)10(17)4-11(7)18-12/h1-5H,(H,19,20).
What are the key properties of 2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid?
2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid has a molecular weight of 370.17 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-6,7-difluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 107354657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).