5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid

C12H15ClN2O3 — CID 43593034

IUPAC5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
SMILESCC1(C)CN(c2ncc(C(=O)O)cc2Cl)CCO1
InChIInChI=1S/C12H15ClN2O3/c1-12(2)7-15(3-4-18-12)10-9(13)5-8(6-14-10)11(16)17/h5-6H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyVQSOFWPIWYODFT-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.05
Rot. Bonds2

About 5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid

5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid (PubChem CID 43593034) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
PubChem CID43593034
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
SMILESCC1(C)CN(c2ncc(C(=O)O)cc2Cl)CCO1
InChIInChI=1S/C12H15ClN2O3/c1-12(2)7-15(3-4-18-12)10-9(13)5-8(6-14-10)11(16)17/h5-6H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyVQSOFWPIWYODFT-UHFFFAOYSA-N
XLogP2.05
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
CID 138383282
6-(2,2-dimethylmorpholin-4-yl)-5-nitropyridine-3-carboxylic acid
CID 81438643
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43593037
4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine
CID 79632898
5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 136549311
4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine
CID 79075234
5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 62775906
5-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 55216040
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889
1-[5-chloro-6-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea
CID 156576796
5-chloro-6-(1,4-thiazepan-4-yl)pyridine-3-carboxylic acid
CID 61419163

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid (CID 43593034) is 5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid is CC1(C)CN(c2ncc(C(=O)O)cc2Cl)CCO1.
What is the InChIKey of 5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid?
The InChIKey is VQSOFWPIWYODFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-12(2)7-15(3-4-18-12)10-9(13)5-8(6-14-10)11(16)17/h5-6H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid?
5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid has a molecular weight of 270.72 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 43593034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).