2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate

C10H13ClN2O3 — CID 150415416

IUPAC2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate
SMILESCOc1nc(Cl)ccc1NCCOC(C)=O
InChIInChI=1S/C10H13ClN2O3/c1-7(14)16-6-5-12-8-3-4-9(11)13-10(8)15-2/h3-4,12H,5-6H2,1-2H3
InChIKeyHGRFSVHXIPGHIA-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.72
Rot. Bonds5

About 2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate

2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate (PubChem CID 150415416) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate
PubChem CID150415416
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate
SMILESCOc1nc(Cl)ccc1NCCOC(C)=O
InChIInChI=1S/C10H13ClN2O3/c1-7(14)16-6-5-12-8-3-4-9(11)13-10(8)15-2/h3-4,12H,5-6H2,1-2H3
InChIKeyHGRFSVHXIPGHIA-UHFFFAOYSA-N
XLogP1.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbonochloridoylanilino)ethyl acetate
CID 87983968
2-[(5-hydroxynaphthalen-1-yl)amino]ethyl acetate
CID 70579258
(6-chloro-3-iodo-2-pyridinyl) acetate
CID 154051084
6-chloro-2-methoxypyridine-3-carbonyl chloride;hydrochloride
CID 156880920
N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)acetamide
CID 118861387
6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 172609889
N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine
CID 138571158
2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate
CID 83204348
2-[2-[(5-amino-6-methoxy-2-pyridinyl)amino]ethoxy]acetamide
CID 106234342
N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 175083875
(6-chloro-2-methoxy-3-pyridinyl)-(4-ethylphenyl)methanone
CID 86596737
tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate
CID 90341107

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate?
The IUPAC name of 2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate (CID 150415416) is 2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate.
What is the SMILES notation for 2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate?
The canonical SMILES for 2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate is COc1nc(Cl)ccc1NCCOC(C)=O.
What is the InChIKey of 2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate?
The InChIKey is HGRFSVHXIPGHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-7(14)16-6-5-12-8-3-4-9(11)13-10(8)15-2/h3-4,12H,5-6H2,1-2H3.
What are the key properties of 2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate?
2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate has a molecular weight of 244.68 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate is sourced from PubChem (CID 150415416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).