3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide

C7H8ClN3O3 — CID 171867605

IUPAC3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cncnc1Cl
InChIInChI=1S/C7H8ClN3O3/c8-6-3(1-10-2-11-6)4(12)5(13)7(9)14/h1-2,4-5,12-13H,(H2,9,14)
InChIKeyAUWQEXZOCXILLJ-UHFFFAOYSA-N
MW217.61 g/mol
LogP-0.99
Rot. Bonds3

About 3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide

3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide (PubChem CID 171867605) has the molecular formula C7H8ClN3O3 and a molecular weight of 217.61 g/mol. Its IUPAC name is 3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide
PubChem CID171867605
Molecular FormulaC7H8ClN3O3
Molecular Weight217.61 g/mol
Exact Mass217.03
IUPAC Name3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cncnc1Cl
InChIInChI=1S/C7H8ClN3O3/c8-6-3(1-10-2-11-6)4(12)5(13)7(9)14/h1-2,4-5,12-13H,(H2,9,14)
InChIKeyAUWQEXZOCXILLJ-UHFFFAOYSA-N
XLogP-0.99
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide
CID 171869611
3-(6-chloro-5-fluoro-3-pyridinyl)-2,3-dihydroxypropanamide
CID 171867911
3-(4-chloroquinazolin-7-yl)-2,3-dihydroxypropanamide
CID 171868914
3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid
CID 170823653
3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823721
3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide
CID 171868242
3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide
CID 171867560
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867764
4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine
CID 176739063
3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3-dihydroxypropanamide
CID 171869553
3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867980
3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-chlorobenzoic acid
CID 171868426

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide (CID 171867605) is 3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cncnc1Cl.
What is the InChIKey of 3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide?
The InChIKey is AUWQEXZOCXILLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O3/c8-6-3(1-10-2-11-6)4(12)5(13)7(9)14/h1-2,4-5,12-13H,(H2,9,14).
What are the key properties of 3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide?
3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide has a molecular weight of 217.61 g/mol, XLogP of -0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrimidin-5-yl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171867605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).