5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid

C12H10BrClN2O2S — CID 62000773

IUPAC5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccc(Cl)s1)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C12H10BrClN2O2S/c1-16(6-8-2-3-10(14)19-8)11-9(12(17)18)4-7(13)5-15-11/h2-5H,6H2,1H3,(H,17,18)
InChIKeyMHOYTFCUEIOMTB-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.89
Rot. Bonds4

About 5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid

5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid (PubChem CID 62000773) has the molecular formula C12H10BrClN2O2S and a molecular weight of 361.65 g/mol. Its IUPAC name is 5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid
PubChem CID62000773
Molecular FormulaC12H10BrClN2O2S
Molecular Weight361.65 g/mol
Exact Mass359.93
IUPAC Name5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccc(Cl)s1)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C12H10BrClN2O2S/c1-16(6-8-2-3-10(14)19-8)11-9(12(17)18)4-7(13)5-15-11/h2-5H,6H2,1H3,(H,17,18)
InChIKeyMHOYTFCUEIOMTB-UHFFFAOYSA-N
XLogP3.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 55112363
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-methylbenzoic acid
CID 62136632
5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
CID 59700072
5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CID 62000949
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 66340620
5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine
CID 107081351
3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoic acid
CID 102822767
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 9107741
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80799071
5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81055009
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876765
6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 61442236

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid (CID 62000773) is 5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid is CN(Cc1ccc(Cl)s1)c1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid?
The InChIKey is MHOYTFCUEIOMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S/c1-16(6-8-2-3-10(14)19-8)11-9(12(17)18)4-7(13)5-15-11/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid?
5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid has a molecular weight of 361.65 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62000773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).