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

C11H9BrN2O2S — CID 115490955

IUPAC5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccc(Br)s2)cn1
InChIInChI=1S/C11H9BrN2O2S/c12-10-4-2-8(17-10)6-13-7-1-3-9(11(15)16)14-5-7/h1-5,13H,6H2,(H,15,16)
InChIKeyUSUSYFDPTFNLFQ-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.22
Rot. Bonds4

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

5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid (PubChem CID 115490955) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid
PubChem CID115490955
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC Name5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccc(Br)s2)cn1
InChIInChI=1S/C11H9BrN2O2S/c12-10-4-2-8(17-10)6-13-7-1-3-9(11(15)16)14-5-7/h1-5,13H,6H2,(H,15,16)
InChIKeyUSUSYFDPTFNLFQ-UHFFFAOYSA-N
XLogP3.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-bromothiophen-2-yl)methoxy]pyridine-2-carboxylic acid
CID 79794866
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 106050529
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
4-[(5-bromothiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81244300
4-[(5-bromothiophen-2-yl)methylamino]-2-methylpyrimidine-5-carboxylic acid
CID 115148779
5-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]pyridine-2-carboxylic acid
CID 104703042
[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid
CID 141181051
5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 115116731
4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide
CID 43728545
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
6-[[(5-bromothiophen-2-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904513
1-[2-amino-5-[(5-bromothiophen-2-yl)methylamino]phenyl]ethanone
CID 113433041

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid (CID 115490955) is 5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NCc2ccc(Br)s2)cn1.
What is the InChIKey of 5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is USUSYFDPTFNLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c12-10-4-2-8(17-10)6-13-7-1-3-9(11(15)16)14-5-7/h1-5,13H,6H2,(H,15,16).
What are the key properties of 5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid?
5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 313.18 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).