4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate

C21H24Cl2N4O6 — CID 158349113

IUPAC4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)cc(N2CCOCC2)n1.O=C(O)c1cc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C11H13ClN2O3.C10H11ClN2O3/c1-16-11(15)9-6-8(12)7-10(13-9)14-2-4-17-5-3-14;11-7-5-8(10(14)15)12-9(6-7)13-1-3-16-4-2-13/h6-7H,2-5H2,1H3;5-6H,1-4H2,(H,14,15)
InChIKeyGSCFQSGZRTXHDT-UHFFFAOYSA-N
MW499.35 g/mol
LogP2.63
Rot. Bonds4

About 4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate

4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate (PubChem CID 158349113) has the molecular formula C21H24Cl2N4O6 and a molecular weight of 499.35 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate.

Molecular Properties

Compound Name4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate
PubChem CID158349113
Molecular FormulaC21H24Cl2N4O6
Molecular Weight499.35 g/mol
Exact Mass498.11
IUPAC Name4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)cc(N2CCOCC2)n1.O=C(O)c1cc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C11H13ClN2O3.C10H11ClN2O3/c1-16-11(15)9-6-8(12)7-10(13-9)14-2-4-17-5-3-14;11-7-5-8(10(14)15)12-9(6-7)13-1-3-16-4-2-13/h6-7H,2-5H2,1H3;5-6H,1-4H2,(H,14,15)
InChIKeyGSCFQSGZRTXHDT-UHFFFAOYSA-N
XLogP2.63
TPSA114.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

6-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122057768
Ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate
CID 138983049
3-Chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 50957400
6-{4-[1-(4-Morpholinyl)ethyl]-1-piperidinyl}-2-pyridinecarboxylic acid
CID 72902904
Ethyl 6-morpholinopyridine-2-carboxylate
CID 25150026
3-Chloro-6-morpholinyl-2-pyridine carboxylic acid
CID 28491368
Methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate
CID 58508119
4-Chloro-6-morpholinopicolinic acid
CID 66630690
Methyl 4-chloro-6-morpholinopicolinate
CID 66631270
4,6-Dimorpholin-4-ylpyridine-2-carboxylic acid
CID 66682269
Methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
CID 67057603
[4-(1-Chloroethylideneamino)-5-methoxy-5-oxopent-3-enyl] 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate
CID 123928074

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate?
The IUPAC name of 4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate (CID 158349113) is 4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate.
What is the SMILES notation for 4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate?
The canonical SMILES for 4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate is COC(=O)c1cc(Cl)cc(N2CCOCC2)n1.O=C(O)c1cc(Cl)cc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate?
The InChIKey is GSCFQSGZRTXHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3.C10H11ClN2O3/c1-16-11(15)9-6-8(12)7-10(13-9)14-2-4-17-5-3-14;11-7-5-8(10(14)15)12-9(6-7)13-1-3-16-4-2-13/h6-7H,2-5H2,1H3;5-6H,1-4H2,(H,14,15).
What are the key properties of 4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate?
4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate has a molecular weight of 499.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate is sourced from PubChem (CID 158349113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).