4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid

C10H11BrN2O2 — CID 130640137

IUPAC4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid
SMILESC=C(Br)CNc1cc(C)nc(C(=O)O)c1
InChIInChI=1S/C10H11BrN2O2/c1-6(11)5-12-8-3-7(2)13-9(4-8)10(14)15/h3-4H,1,5H2,2H3,(H,12,13)(H,14,15)
InChIKeyKUOCRCGBVZOOLT-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.41
Rot. Bonds4

About 4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid

4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid (PubChem CID 130640137) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid
PubChem CID130640137
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid
SMILESC=C(Br)CNc1cc(C)nc(C(=O)O)c1
InChIInChI=1S/C10H11BrN2O2/c1-6(11)5-12-8-3-7(2)13-9(4-8)10(14)15/h3-4H,1,5H2,2H3,(H,12,13)(H,14,15)
InChIKeyKUOCRCGBVZOOLT-UHFFFAOYSA-N
XLogP2.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid (CID 130640137) is 4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid is C=C(Br)CNc1cc(C)nc(C(=O)O)c1.
What is the InChIKey of 4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid?
The InChIKey is KUOCRCGBVZOOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-6(11)5-12-8-3-7(2)13-9(4-8)10(14)15/h3-4H,1,5H2,2H3,(H,12,13)(H,14,15).
What are the key properties of 4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid?
4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid has a molecular weight of 271.11 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 130640137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).