3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid

C10H10ClNO6 — CID 170824623

IUPAC3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESCOC(=O)c1cnc(Cl)c(C(O)C(O)C(=O)O)c1
InChIInChI=1S/C10H10ClNO6/c1-18-10(17)4-2-5(8(11)12-3-4)6(13)7(14)9(15)16/h2-3,6-7,13-14H,1H3,(H,15,16)
InChIKeyITFXJVXGZDDUDN-UHFFFAOYSA-N
MW275.64 g/mol
LogP0.00
Rot. Bonds4

About 3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid

3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid (PubChem CID 170824623) has the molecular formula C10H10ClNO6 and a molecular weight of 275.64 g/mol. Its IUPAC name is 3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
PubChem CID170824623
Molecular FormulaC10H10ClNO6
Molecular Weight275.64 g/mol
Exact Mass275.02
IUPAC Name3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESCOC(=O)c1cnc(Cl)c(C(O)C(O)C(=O)O)c1
InChIInChI=1S/C10H10ClNO6/c1-18-10(17)4-2-5(8(11)12-3-4)6(13)7(14)9(15)16/h2-3,6-7,13-14H,1H3,(H,15,16)
InChIKeyITFXJVXGZDDUDN-UHFFFAOYSA-N
XLogP0.00
TPSA116.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.64
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858607
3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823721
ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
CID 170617619
3-(2-fluoro-4-methoxycarbonylphenyl)-2,3-dihydroxypropanoic acid
CID 170824508
methyl 3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171864714
4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171878308
3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid
CID 170823653
3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823685
methyl 4-(2,5-dichloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895342
methyl 6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134664019
methyl 6-chloro-5-(3-hydroxypropyl)pyridine-3-carboxylate
CID 150603991
methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171881890

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid (CID 170824623) is 3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid is COC(=O)c1cnc(Cl)c(C(O)C(O)C(=O)O)c1.
What is the InChIKey of 3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid?
The InChIKey is ITFXJVXGZDDUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO6/c1-18-10(17)4-2-5(8(11)12-3-4)6(13)7(14)9(15)16/h2-3,6-7,13-14H,1H3,(H,15,16).
What are the key properties of 3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid?
3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid has a molecular weight of 275.64 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170824623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).