5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid

C10H11BrN2O2 — CID 62000742

IUPAC5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCN(c1ncc(Br)cc1C(=O)O)C1CC1
InChIInChI=1S/C10H11BrN2O2/c1-13(7-2-3-7)9-8(10(14)15)4-6(11)5-12-9/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeyGXWCEAPKGUIOTN-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.14
Rot. Bonds3

About 5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid

5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid (PubChem CID 62000742) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid
PubChem CID62000742
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCN(c1ncc(Br)cc1C(=O)O)C1CC1
InChIInChI=1S/C10H11BrN2O2/c1-13(7-2-3-7)9-8(10(14)15)4-6(11)5-12-9/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeyGXWCEAPKGUIOTN-UHFFFAOYSA-N
XLogP2.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid (CID 62000742) is 5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid is CN(c1ncc(Br)cc1C(=O)O)C1CC1.
What is the InChIKey of 5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid?
The InChIKey is GXWCEAPKGUIOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-13(7-2-3-7)9-8(10(14)15)4-6(11)5-12-9/h4-5,7H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid?
5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid has a molecular weight of 271.11 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62000742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).