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

C12H15ClN2O3 — CID 63376481

IUPAC6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
SMILESCC1CN(c2nc(Cl)ccc2C(=O)O)CC(C)O1
InChIInChI=1S/C12H15ClN2O3/c1-7-5-15(6-8(2)18-7)11-9(12(16)17)3-4-10(13)14-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyFAUWSUVDRCVTDE-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.05
Rot. Bonds2

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

6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid (PubChem CID 63376481) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
PubChem CID63376481
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
SMILESCC1CN(c2nc(Cl)ccc2C(=O)O)CC(C)O1
InChIInChI=1S/C12H15ClN2O3/c1-7-5-15(6-8(2)18-7)11-9(12(16)17)3-4-10(13)14-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyFAUWSUVDRCVTDE-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

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
CID 170774991
6-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380421
(2S,6R)-4-(6-chloro-3-nitro-2-pyridinyl)-2,6-dimethylmorpholine
CID 104959790
6-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboxylic acid
CID 79170050
6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 55185257
6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid
CID 102883883
2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63376854
2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79874724
6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 63380022
2-(2,6-dimethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62703000
6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380136
6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 55183258

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid (CID 63376481) is 6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid is CC1CN(c2nc(Cl)ccc2C(=O)O)CC(C)O1.
What is the InChIKey of 6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid?
The InChIKey is FAUWSUVDRCVTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-7-5-15(6-8(2)18-7)11-9(12(16)17)3-4-10(13)14-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid?
6-chloro-2-(2,6-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 6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63376481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).