2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid

C17H17Cl2N3O5 — CID 159750202

IUPAC2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(N2CCOCC2)n1.O=C(O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14N2O3.C6H3Cl2NO2/c1-8-6-9(11(14)15)7-10(12-8)13-2-4-16-5-3-13;7-4-1-3(6(10)11)2-5(8)9-4/h6-7H,2-5H2,1H3,(H,14,15);1-2H,(H,10,11)
InChIKeyNDOAMJUJDGKNHI-UHFFFAOYSA-N
MW414.25 g/mol
LogP3.01
Rot. Bonds3

About 2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid

2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid (PubChem CID 159750202) has the molecular formula C17H17Cl2N3O5 and a molecular weight of 414.25 g/mol. Its IUPAC name is 2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid
PubChem CID159750202
Molecular FormulaC17H17Cl2N3O5
Molecular Weight414.25 g/mol
Exact Mass413.05
IUPAC Name2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(N2CCOCC2)n1.O=C(O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14N2O3.C6H3Cl2NO2/c1-8-6-9(11(14)15)7-10(12-8)13-2-4-16-5-3-13;7-4-1-3(6(10)11)2-5(8)9-4/h6-7H,2-5H2,1H3,(H,14,15);1-2H,(H,10,11)
InChIKeyNDOAMJUJDGKNHI-UHFFFAOYSA-N
XLogP3.01
TPSA112.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.25
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122057768
2-[[(2S)-butan-2-yl]amino]-6-(difluoromethyl)pyridine-4-carboxylic acid;methyl 2-chloro-6-ethenylpyridine-4-carboxylate
CID 87787626
3-chloro-2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]pyridine-4-carboxylic acid
CID 155227658
3-Chloro-2-fluoro-6-(3-methylmorpholin-4-yl)pyridine-4-carboxylic acid
CID 155227660
US12325701, Example 125.
CID 168679072
fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-6-methylpyridine-4-carboxylate
CID 143829248
2-(Morpholin-4-yl)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165489302
2-Chloro-6-(morpholin-4-yl)pyridine-4-carboxylic acid
CID 21430341
2-Chloro-6-piperidin-1-ylpyridine-4-carboxylic acid
CID 21430347
2-Chloro-6-(3-methylmorpholin-4-yl)pyridine-4-carboxylic acid
CID 43542474
2-(Dipropylamino)-6-methylisonicotinic acid hydrochloride
CID 57487394
Methyl 2-chloro-6-morpholin-4-ylisonicotinate
CID 58229585

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid?
The IUPAC name of 2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid (CID 159750202) is 2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(N2CCOCC2)n1.O=C(O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid?
The InChIKey is NDOAMJUJDGKNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.C6H3Cl2NO2/c1-8-6-9(11(14)15)7-10(12-8)13-2-4-16-5-3-13;7-4-1-3(6(10)11)2-5(8)9-4/h6-7H,2-5H2,1H3,(H,14,15);1-2H,(H,10,11).
What are the key properties of 2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid?
2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid has a molecular weight of 414.25 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 159750202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).