2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid

C12H13ClN2O4 — CID 66420959

IUPAC2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ccc(Cl)nc2)CCO1
InChIInChI=1S/C12H13ClN2O4/c13-10-2-1-8(6-14-10)12(18)15-3-4-19-9(7-15)5-11(16)17/h1-2,6,9H,3-5,7H2,(H,16,17)
InChIKeyHHAANMLOTDICBU-UHFFFAOYSA-N
MW284.70 g/mol
LogP1.05
Rot. Bonds3

About 2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid

2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66420959) has the molecular formula C12H13ClN2O4 and a molecular weight of 284.70 g/mol. Its IUPAC name is 2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66420959
Molecular FormulaC12H13ClN2O4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Name2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2ccc(Cl)nc2)CCO1
InChIInChI=1S/C12H13ClN2O4/c13-10-2-1-8(6-14-10)12(18)15-3-4-19-9(7-15)5-11(16)17/h1-2,6,9H,3-5,7H2,(H,16,17)
InChIKeyHHAANMLOTDICBU-UHFFFAOYSA-N
XLogP1.05
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 51.05
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

2-[4-(6-ethoxypyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248952
2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515416
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 124705038
2-[(2R)-4-(1-tert-butylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124682530
2-[(2S)-4-(1-tert-butylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124682528
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[4-(3-bromo-5-chlorobenzoyl)morpholin-2-yl]acetic acid
CID 107938149
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 119248465
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid (CID 66420959) is 2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2ccc(Cl)nc2)CCO1.
What is the InChIKey of 2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is HHAANMLOTDICBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4/c13-10-2-1-8(6-14-10)12(18)15-3-4-19-9(7-15)5-11(16)17/h1-2,6,9H,3-5,7H2,(H,16,17).
What are the key properties of 2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 284.70 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66420959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).