3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid

C7H6Cl2N2O4 — CID 170823653

IUPAC3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1cnc(Cl)nc1Cl
InChIInChI=1S/C7H6Cl2N2O4/c8-5-2(1-10-7(9)11-5)3(12)4(13)6(14)15/h1,3-4,12-13H,(H,14,15)
InChIKeyWSIZPQFJEFMRED-UHFFFAOYSA-N
MW253.04 g/mol
LogP0.26
Rot. Bonds3

About 3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid

3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid (PubChem CID 170823653) has the molecular formula C7H6Cl2N2O4 and a molecular weight of 253.04 g/mol. Its IUPAC name is 3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid
PubChem CID170823653
Molecular FormulaC7H6Cl2N2O4
Molecular Weight253.04 g/mol
Exact Mass251.97
IUPAC Name3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1cnc(Cl)nc1Cl
InChIInChI=1S/C7H6Cl2N2O4/c8-5-2(1-10-7(9)11-5)3(12)4(13)6(14)15/h1,3-4,12-13H,(H,14,15)
InChIKeyWSIZPQFJEFMRED-UHFFFAOYSA-N
XLogP0.26
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.04
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823721
N-[4-(2,4-dichloropyrimidin-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171882730
3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823685
3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170825058
(2,4-dichloropyrimidin-5-yl)-phenylmethanol
CID 15053973
3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170824623
3-(6-chloropyrazin-2-yl)-2,3-dihydroxypropanoic acid
CID 76696734
3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823447
4-(2-amino-4-chloropyrimidin-5-yl)-3,4-dihydroxybutanoic acid
CID 171877478
3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide
CID 171867605
3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823452
(2,4-dichloropyrimidin-5-yl)carbamic acid
CID 118393438

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid (CID 170823653) is 3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid is O=C(O)C(O)C(O)c1cnc(Cl)nc1Cl.
What is the InChIKey of 3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid?
The InChIKey is WSIZPQFJEFMRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O4/c8-5-2(1-10-7(9)11-5)3(12)4(13)6(14)15/h1,3-4,12-13H,(H,14,15).
What are the key properties of 3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid?
3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid has a molecular weight of 253.04 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).