5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid

C9H8Br2N2O2 — CID 130572381

IUPAC5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid
SMILESC=C(Br)CNc1cc(C(=O)O)c(Br)cn1
InChIInChI=1S/C9H8Br2N2O2/c1-5(10)3-12-8-2-6(9(14)15)7(11)4-13-8/h2,4H,1,3H2,(H,12,13)(H,14,15)
InChIKeyRONRYMGBJQUVPM-UHFFFAOYSA-N
MW335.98 g/mol
LogP2.86
Rot. Bonds4

About 5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid

5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid (PubChem CID 130572381) has the molecular formula C9H8Br2N2O2 and a molecular weight of 335.98 g/mol. Its IUPAC name is 5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid
PubChem CID130572381
Molecular FormulaC9H8Br2N2O2
Molecular Weight335.98 g/mol
Exact Mass333.90
IUPAC Name5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid
SMILESC=C(Br)CNc1cc(C(=O)O)c(Br)cn1
InChIInChI=1S/C9H8Br2N2O2/c1-5(10)3-12-8-2-6(9(14)15)7(11)4-13-8/h2,4H,1,3H2,(H,12,13)(H,14,15)
InChIKeyRONRYMGBJQUVPM-UHFFFAOYSA-N
XLogP2.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.98
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid
CID 114895980
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
5-bromo-2-(prop-2-ynoxyamino)pyridine-4-carboxylic acid
CID 130658409
4-bromo-5-(2-bromoprop-2-enylamino)furan-2-carboxylic acid
CID 164646533
5-bromo-2-iodopyridine-4-carboxylic acid
CID 131261755
N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine
CID 130667288
N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine
CID 130559285
N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115594979
5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine
CID 130655433
2-bromo-4-(2-bromoprop-2-enylamino)-3-fluorobenzoic acid
CID 107540479
6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113227585
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 115773852

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid?
The IUPAC name of 5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid (CID 130572381) is 5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid is C=C(Br)CNc1cc(C(=O)O)c(Br)cn1.
What is the InChIKey of 5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid?
The InChIKey is RONRYMGBJQUVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2O2/c1-5(10)3-12-8-2-6(9(14)15)7(11)4-13-8/h2,4H,1,3H2,(H,12,13)(H,14,15).
What are the key properties of 5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid?
5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid has a molecular weight of 335.98 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromoprop-2-enylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 130572381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).