3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid

C10H11BrFNO3 — CID 107599328

IUPAC3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNc1c(F)cccc1Br)C(=O)O
InChIInChI=1S/C10H11BrFNO3/c1-10(16,9(14)15)5-13-8-6(11)3-2-4-7(8)12/h2-4,13,16H,5H2,1H3,(H,14,15)
InChIKeyKXVRTBUMVJNCFH-UHFFFAOYSA-N
MW292.10 g/mol
LogP1.84
Rot. Bonds4

About 3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid

3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid (PubChem CID 107599328) has the molecular formula C10H11BrFNO3 and a molecular weight of 292.10 g/mol. Its IUPAC name is 3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
PubChem CID107599328
Molecular FormulaC10H11BrFNO3
Molecular Weight292.10 g/mol
Exact Mass290.99
IUPAC Name3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNc1c(F)cccc1Br)C(=O)O
InChIInChI=1S/C10H11BrFNO3/c1-10(16,9(14)15)5-13-8-6(11)3-2-4-7(8)12/h2-4,13,16H,5H2,1H3,(H,14,15)
InChIKeyKXVRTBUMVJNCFH-UHFFFAOYSA-N
XLogP1.84
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-6-nitroanilino)-2-hydroxy-2-methylpropanoic acid
CID 122061038
4-(2-bromo-6-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 103740790
methyl 3-(2,6-difluoroanilino)-2-hydroxy-2-methylpropanoate
CID 104643872
3-amino-N-(2-bromo-6-fluorophenyl)-2,2,3-trimethylbutanamide
CID 107599820
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide
CID 107599336
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide
CID 107599929
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
2-[(2-bromo-6-fluorophenyl)carbamoyl-tert-butylamino]acetic acid
CID 107601936
3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172745
2-(2-bromo-6-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 103741858

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid (CID 107599328) is 3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid is CC(O)(CNc1c(F)cccc1Br)C(=O)O.
What is the InChIKey of 3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is KXVRTBUMVJNCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO3/c1-10(16,9(14)15)5-13-8-6(11)3-2-4-7(8)12/h2-4,13,16H,5H2,1H3,(H,14,15).
What are the key properties of 3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid?
3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 292.10 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 107599328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).