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

C10H11ClFNO2 — CID 175351309

IUPAC(4-chloro-5-fluoro-2-methyl-3-pyridinyl) 2-methylpropanoate
SMILESCc1ncc(F)c(Cl)c1OC(=O)C(C)C
InChIInChI=1S/C10H11ClFNO2/c1-5(2)10(14)15-9-6(3)13-4-7(12)8(9)11/h4-5H,1-3H3
InChIKeyDQNHLCWSINVYJP-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.74
Rot. Bonds2

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

(4-chloro-5-fluoro-2-methyl-3-pyridinyl) 2-methylpropanoate (PubChem CID 175351309) 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) 2-methylpropanoate.

Molecular Properties

Compound Name(4-chloro-5-fluoro-2-methyl-3-pyridinyl) 2-methylpropanoate
PubChem CID175351309
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name(4-chloro-5-fluoro-2-methyl-3-pyridinyl) 2-methylpropanoate
SMILESCc1ncc(F)c(Cl)c1OC(=O)C(C)C
InChIInChI=1S/C10H11ClFNO2/c1-5(2)10(14)15-9-6(3)13-4-7(12)8(9)11/h4-5H,1-3H3
InChIKeyDQNHLCWSINVYJP-UHFFFAOYSA-N
XLogP2.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.74
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) 2-methylpropanoate?
The IUPAC name of (4-chloro-5-fluoro-2-methyl-3-pyridinyl) 2-methylpropanoate (CID 175351309) is (4-chloro-5-fluoro-2-methyl-3-pyridinyl) 2-methylpropanoate.
What is the SMILES notation for (4-chloro-5-fluoro-2-methyl-3-pyridinyl) 2-methylpropanoate?
The canonical SMILES for (4-chloro-5-fluoro-2-methyl-3-pyridinyl) 2-methylpropanoate is Cc1ncc(F)c(Cl)c1OC(=O)C(C)C.
What is the InChIKey of (4-chloro-5-fluoro-2-methyl-3-pyridinyl) 2-methylpropanoate?
The InChIKey is DQNHLCWSINVYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-5(2)10(14)15-9-6(3)13-4-7(12)8(9)11/h4-5H,1-3H3.
What are the key properties of (4-chloro-5-fluoro-2-methyl-3-pyridinyl) 2-methylpropanoate?
(4-chloro-5-fluoro-2-methyl-3-pyridinyl) 2-methylpropanoate has a molecular weight of 231.65 g/mol, XLogP of 2.74, 2 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) 2-methylpropanoate is sourced from PubChem (CID 175351309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).