5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid

C10H13BrN2O3 — CID 64912935

IUPAC5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
SMILESCC(O)CCNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C10H13BrN2O3/c1-6(14)2-3-12-9-8(10(15)16)4-7(11)5-13-9/h4-6,14H,2-3H2,1H3,(H,12,13)(H,15,16)
InChIKeyGNTNIUOSCGMWFY-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.73
Rot. Bonds5

About 5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid

5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid (PubChem CID 64912935) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
PubChem CID64912935
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
SMILESCC(O)CCNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C10H13BrN2O3/c1-6(14)2-3-12-9-8(10(15)16)4-7(11)5-13-9/h4-6,14H,2-3H2,1H3,(H,12,13)(H,15,16)
InChIKeyGNTNIUOSCGMWFY-UHFFFAOYSA-N
XLogP1.73
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63537700
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CID 64926877
5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
CID 62000794
5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365
5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
CID 62634793
5-bromo-2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 63537491
5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 104762194
5-bromo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 113406289
5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 55260858
5-bromo-2-(2-prop-2-ynylsulfanylethylamino)pyridine-3-carboxylic acid
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5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 106261575
(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 131107121

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid (CID 64912935) is 5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid is CC(O)CCNc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid?
The InChIKey is GNTNIUOSCGMWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-6(14)2-3-12-9-8(10(15)16)4-7(11)5-13-9/h4-6,14H,2-3H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid?
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid has a molecular weight of 289.13 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 64912935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).