ethane;methyl 2-(6-chloro-3-pyridinyl)acetate

C10H14ClNO2 — CID 142918982

IUPACethane;methyl 2-(6-chloro-3-pyridinyl)acetate
SMILESCC.COC(=O)Cc1ccc(Cl)nc1
InChIInChI=1S/C8H8ClNO2.C2H6/c1-12-8(11)4-6-2-3-7(9)10-5-6;1-2/h2-3,5H,4H2,1H3;1-2H3
InChIKeyNPPZRFXRQOOXHM-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.48
Rot. Bonds2

About ethane;methyl 2-(6-chloro-3-pyridinyl)acetate

ethane;methyl 2-(6-chloro-3-pyridinyl)acetate (PubChem CID 142918982) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is ethane;methyl 2-(6-chloro-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethane;methyl 2-(6-chloro-3-pyridinyl)acetate
PubChem CID142918982
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Nameethane;methyl 2-(6-chloro-3-pyridinyl)acetate
SMILESCC.COC(=O)Cc1ccc(Cl)nc1
InChIInChI=1S/C8H8ClNO2.C2H6/c1-12-8(11)4-6-2-3-7(9)10-5-6;1-2/h2-3,5H,4H2,1H3;1-2H3
InChIKeyNPPZRFXRQOOXHM-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-[(6-chloro-3-pyridinyl)methyl]propanedioate
CID 103972363
methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
CID 86099194
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
methyl 3-[(6-chloro-3-pyridinyl)sulfanyl]propanoate
CID 146317804
methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate
CID 131118984
methyl 2-(6-piperazin-1-yl-3-pyridinyl)acetate
CID 139530958
methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate
CID 166089309
methyl 2-(5-chloro-3-pyridinyl)acetate
CID 91594815
S-[(6-chloro-3-pyridinyl)methyl] ethanethioate
CID 6420468
(E)-3-(6-chloro-3-pyridinyl)-1-nitroprop-1-en-2-amine;ethane
CID 142918977
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate
CID 86677537

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(6-chloro-3-pyridinyl)acetate?
The IUPAC name of ethane;methyl 2-(6-chloro-3-pyridinyl)acetate (CID 142918982) is ethane;methyl 2-(6-chloro-3-pyridinyl)acetate.
What is the SMILES notation for ethane;methyl 2-(6-chloro-3-pyridinyl)acetate?
The canonical SMILES for ethane;methyl 2-(6-chloro-3-pyridinyl)acetate is CC.COC(=O)Cc1ccc(Cl)nc1.
What is the InChIKey of ethane;methyl 2-(6-chloro-3-pyridinyl)acetate?
The InChIKey is NPPZRFXRQOOXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2.C2H6/c1-12-8(11)4-6-2-3-7(9)10-5-6;1-2/h2-3,5H,4H2,1H3;1-2H3.
What are the key properties of ethane;methyl 2-(6-chloro-3-pyridinyl)acetate?
ethane;methyl 2-(6-chloro-3-pyridinyl)acetate has a molecular weight of 215.68 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(6-chloro-3-pyridinyl)acetate is sourced from PubChem (CID 142918982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).