(4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate

C10H11ClFNO2 — CID 175351308

IUPAC(4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate
SMILESCCCC(=O)Oc1c(C)ncc(F)c1Cl
InChIInChI=1S/C10H11ClFNO2/c1-3-4-8(14)15-10-6(2)13-5-7(12)9(10)11/h5H,3-4H2,1-2H3
InChIKeyYCOIRHYDCNKEIB-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.89
Rot. Bonds3

About (4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate

(4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate (PubChem CID 175351308) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is (4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate.

Molecular Properties

Compound Name(4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate
PubChem CID175351308
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name(4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate
SMILESCCCC(=O)Oc1c(C)ncc(F)c1Cl
InChIInChI=1S/C10H11ClFNO2/c1-3-4-8(14)15-10-6(2)13-5-7(12)9(10)11/h5H,3-4H2,1-2H3
InChIKeyYCOIRHYDCNKEIB-UHFFFAOYSA-N
XLogP2.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate?
The IUPAC name of (4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate (CID 175351308) is (4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate.
What is the SMILES notation for (4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate?
The canonical SMILES for (4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate is CCCC(=O)Oc1c(C)ncc(F)c1Cl.
What is the InChIKey of (4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate?
The InChIKey is YCOIRHYDCNKEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-3-4-8(14)15-10-6(2)13-5-7(12)9(10)11/h5H,3-4H2,1-2H3.
What are the key properties of (4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate?
(4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate has a molecular weight of 231.65 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate is sourced from PubChem (CID 175351308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).