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

C11H13ClN2O3 — CID 55185257

IUPAC6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid
SMILESCC1COCCN1c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-7-6-17-5-4-14(7)10-8(11(15)16)2-3-9(12)13-10/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyWZBLKENQNJCEPU-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.66
Rot. Bonds2

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

6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid (PubChem CID 55185257) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid
PubChem CID55185257
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid
SMILESCC1COCCN1c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-7-6-17-5-4-14(7)10-8(11(15)16)2-3-9(12)13-10/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyWZBLKENQNJCEPU-UHFFFAOYSA-N
XLogP1.66
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.66
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

(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703371
6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid
CID 102883883
6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 63376481
2-(3-methylmorpholin-4-yl)pyridine-3-carboxamide
CID 155353856
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498
4-(4-chlorophthalazin-1-yl)-3-methylmorpholine
CID 62141543
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
2-chloro-4-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
CID 87107658
methyl 2-methyl-6-(3-methylmorpholin-4-yl)pyridine-3-carboxylate
CID 133418545
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid (CID 55185257) is 6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid is CC1COCCN1c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid?
The InChIKey is WZBLKENQNJCEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-7-6-17-5-4-14(7)10-8(11(15)16)2-3-9(12)13-10/h2-3,7H,4-6H2,1H3,(H,15,16).
What are the key properties of 6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid?
6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid has a molecular weight of 256.69 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 55185257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).