2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid

C12H16N2O3 — CID 43420791

IUPAC2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid
SMILESCCC1CN(c2ncccc2C(=O)O)CCO1
InChIInChI=1S/C12H16N2O3/c1-2-9-8-14(6-7-17-9)11-10(12(15)16)4-3-5-13-11/h3-5,9H,2,6-8H2,1H3,(H,15,16)
InChIKeyHNPLUNDBDJFRKD-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.39
Rot. Bonds3

About 2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid

2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid (PubChem CID 43420791) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid
PubChem CID43420791
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid
SMILESCCC1CN(c2ncccc2C(=O)O)CCO1
InChIInChI=1S/C12H16N2O3/c1-2-9-8-14(6-7-17-9)11-10(12(15)16)4-3-5-13-11/h3-5,9H,2,6-8H2,1H3,(H,15,16)
InChIKeyHNPLUNDBDJFRKD-UHFFFAOYSA-N
XLogP1.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethylmorpholin-4-yl)-3-pyridinyl]methanol
CID 55031188
2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435763
methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 115538646
methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
CID 79770247
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 95525298
2-[2-(3-phenylpropyl)morpholin-4-yl]pyridine-3-carboxamide
CID 45189406
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
ethyl 2-[(2R)-2-phenylmorpholin-4-yl]pyridine-3-carboxylate
CID 94179717
1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone
CID 103721776
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate
CID 115538633
propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 133470468

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid (CID 43420791) is 2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid is CCC1CN(c2ncccc2C(=O)O)CCO1.
What is the InChIKey of 2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid?
The InChIKey is HNPLUNDBDJFRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-9-8-14(6-7-17-9)11-10(12(15)16)4-3-5-13-11/h3-5,9H,2,6-8H2,1H3,(H,15,16).
What are the key properties of 2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid?
2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 43420791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).