2-(2-bromopyrimidin-5-yl)acetic acid

C6H5BrN2O2 — CID 119023982

IUPAC2-(2-bromopyrimidin-5-yl)acetic acid
SMILESO=C(O)Cc1cnc(Br)nc1
InChIInChI=1S/C6H5BrN2O2/c7-6-8-2-4(3-9-6)1-5(10)11/h2-3H,1H2,(H,10,11)
InChIKeyJVGAYRSKIDVFBZ-UHFFFAOYSA-N
MW217.02 g/mol
LogP0.87
Rot. Bonds2

About 2-(2-bromopyrimidin-5-yl)acetic acid

2-(2-bromopyrimidin-5-yl)acetic acid (PubChem CID 119023982) has the molecular formula C6H5BrN2O2 and a molecular weight of 217.02 g/mol. Its IUPAC name is 2-(2-bromopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-bromopyrimidin-5-yl)acetic acid
PubChem CID119023982
Molecular FormulaC6H5BrN2O2
Molecular Weight217.02 g/mol
Exact Mass215.95
IUPAC Name2-(2-bromopyrimidin-5-yl)acetic acid
SMILESO=C(O)Cc1cnc(Br)nc1
InChIInChI=1S/C6H5BrN2O2/c7-6-8-2-4(3-9-6)1-5(10)11/h2-3H,1H2,(H,10,11)
InChIKeyJVGAYRSKIDVFBZ-UHFFFAOYSA-N
XLogP0.87
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.02
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid
CID 14056318
2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83879723
2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid
CID 84666078
2-[2-(2,4,6-trichlorophenyl)pyrimidin-5-yl]acetic acid
CID 118824949
2-(2-bromo-1,3-thiazol-5-yl)acetic acid
CID 71721405
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
2-(6-tert-butyl-3-pyridinyl)acetic acid
CID 58436565
2-(3-bromoquinolin-6-yl)acetic acid
CID 59320341
2-(5-bromo-1,3-thiazol-2-yl)acetic acid
CID 66224113
lithium;2-(4-bromophenyl)acetic acid;carbanide
CID 161336819
2-(1,6-naphthyridin-3-yl)acetic acid
CID 84770667
2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130096522

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2-bromopyrimidin-5-yl)acetic acid (CID 119023982) is 2-(2-bromopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-bromopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2-bromopyrimidin-5-yl)acetic acid is O=C(O)Cc1cnc(Br)nc1.
What is the InChIKey of 2-(2-bromopyrimidin-5-yl)acetic acid?
The InChIKey is JVGAYRSKIDVFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O2/c7-6-8-2-4(3-9-6)1-5(10)11/h2-3H,1H2,(H,10,11).
What are the key properties of 2-(2-bromopyrimidin-5-yl)acetic acid?
2-(2-bromopyrimidin-5-yl)acetic acid has a molecular weight of 217.02 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 119023982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).