(4-chloro-3-methoxy-2-pyridinyl)methyl acetate

C9H10ClNO3 — CID 11171940

IUPAC(4-chloro-3-methoxy-2-pyridinyl)methyl acetate
SMILESCOc1c(Cl)ccnc1COC(C)=O
InChIInChI=1S/C9H10ClNO3/c1-6(12)14-5-8-9(13-2)7(10)3-4-11-8/h3-4H,5H2,1-2H3
InChIKeyIIOSRWIIOIBXOE-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.81
Rot. Bonds3

About (4-chloro-3-methoxy-2-pyridinyl)methyl acetate

(4-chloro-3-methoxy-2-pyridinyl)methyl acetate (PubChem CID 11171940) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is (4-chloro-3-methoxy-2-pyridinyl)methyl acetate.

Molecular Properties

Compound Name(4-chloro-3-methoxy-2-pyridinyl)methyl acetate
PubChem CID11171940
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name(4-chloro-3-methoxy-2-pyridinyl)methyl acetate
SMILESCOc1c(Cl)ccnc1COC(C)=O
InChIInChI=1S/C9H10ClNO3/c1-6(12)14-5-8-9(13-2)7(10)3-4-11-8/h3-4H,5H2,1-2H3
InChIKeyIIOSRWIIOIBXOE-UHFFFAOYSA-N
XLogP1.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxy-2-pyridinyl)methyl acetate?
The IUPAC name of (4-chloro-3-methoxy-2-pyridinyl)methyl acetate (CID 11171940) is (4-chloro-3-methoxy-2-pyridinyl)methyl acetate.
What is the SMILES notation for (4-chloro-3-methoxy-2-pyridinyl)methyl acetate?
The canonical SMILES for (4-chloro-3-methoxy-2-pyridinyl)methyl acetate is COc1c(Cl)ccnc1COC(C)=O.
What is the InChIKey of (4-chloro-3-methoxy-2-pyridinyl)methyl acetate?
The InChIKey is IIOSRWIIOIBXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-6(12)14-5-8-9(13-2)7(10)3-4-11-8/h3-4H,5H2,1-2H3.
What are the key properties of (4-chloro-3-methoxy-2-pyridinyl)methyl acetate?
(4-chloro-3-methoxy-2-pyridinyl)methyl acetate has a molecular weight of 215.64 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxy-2-pyridinyl)methyl acetate is sourced from PubChem (CID 11171940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).