2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid

C11H9BrN2O2S — CID 62034388

IUPAC2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2cc(Br)cs2)c1
InChIInChI=1S/C11H9BrN2O2S/c12-8-4-9(17-6-8)5-14-10-3-7(11(15)16)1-2-13-10/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKeyOCNYTVQZZSERFK-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.22
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid

2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 62034388) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID62034388
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC Name2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2cc(Br)cs2)c1
InChIInChI=1S/C11H9BrN2O2S/c12-8-4-9(17-6-8)5-14-10-3-7(11(15)16)1-2-13-10/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKeyOCNYTVQZZSERFK-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

4-[(4-bromothiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 43736169
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
4-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81244388
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62174359
2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 55219063
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 79242317
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
CID 106435556
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 106303289
2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114956408
2-[(4-bromothiophen-2-yl)methylamino]-2-methylpropanoic acid
CID 65263735

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid (CID 62034388) is 2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCc2cc(Br)cs2)c1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is OCNYTVQZZSERFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c12-8-4-9(17-6-8)5-14-10-3-7(11(15)16)1-2-13-10/h1-4,6H,5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid?
2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-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 2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 62034388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).