3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid

C10H13BrN2O2 — CID 82378960

IUPAC3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid
SMILESCN(C)CCc1cncc(Br)c1C(=O)O
InChIInChI=1S/C10H13BrN2O2/c1-13(2)4-3-7-5-12-6-8(11)9(7)10(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyNBNJDSVQAHPXRB-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.65
Rot. Bonds4

About 3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid

3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid (PubChem CID 82378960) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid
PubChem CID82378960
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid
SMILESCN(C)CCc1cncc(Br)c1C(=O)O
InChIInChI=1S/C10H13BrN2O2/c1-13(2)4-3-7-5-12-6-8(11)9(7)10(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyNBNJDSVQAHPXRB-UHFFFAOYSA-N
XLogP1.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-cyanopyridine-4-carboxylic acid
CID 99983246
2-(4-amino-5-bromo-3-pyridinyl)acetic acid
CID 131050880
3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine
CID 163375706
3-amino-5-bromopyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 131668642
4-bromo-3-[2-(dimethylamino)ethyl]aniline
CID 70451093
1-(3-bromo-5-methyl-4-pyridinyl)ethanone
CID 84680118
3-[(3,5-dibromo-4-pyridinyl)methylcarbamoyl-methylamino]propanoic acid
CID 122016017
(4-bromoisoquinolin-6-yl)methyl-[3-(dimethylamino)propyl]carbamic acid
CID 122457667
3-(5-bromo-4-methyl-3-pyridinyl)propanal
CID 75406621
3-[2-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-4-ol
CID 163393165
5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
CID 4738593
2-(4-bromoanilino)-4-[3-(dimethylamino)propyl]pyridine-3-carboxylic acid;hydrochloride
CID 20980518

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid (CID 82378960) is 3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid is CN(C)CCc1cncc(Br)c1C(=O)O.
What is the InChIKey of 3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid?
The InChIKey is NBNJDSVQAHPXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-13(2)4-3-7-5-12-6-8(11)9(7)10(14)15/h5-6H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid?
3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid has a molecular weight of 273.13 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(dimethylamino)ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 82378960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).