(3-fluoro-3-methylbutyl) pyridine-3-carboxylate

C11H14FNO2 — CID 146343265

IUPAC(3-fluoro-3-methylbutyl) pyridine-3-carboxylate
SMILESCC(C)(F)CCOC(=O)c1cccnc1
InChIInChI=1S/C11H14FNO2/c1-11(2,12)5-7-15-10(14)9-4-3-6-13-8-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyDALWPZYNRQUVEZ-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.38
Rot. Bonds4

About (3-fluoro-3-methylbutyl) pyridine-3-carboxylate

(3-fluoro-3-methylbutyl) pyridine-3-carboxylate (PubChem CID 146343265) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (3-fluoro-3-methylbutyl) pyridine-3-carboxylate.

Molecular Properties

Compound Name(3-fluoro-3-methylbutyl) pyridine-3-carboxylate
PubChem CID146343265
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(3-fluoro-3-methylbutyl) pyridine-3-carboxylate
SMILESCC(C)(F)CCOC(=O)c1cccnc1
InChIInChI=1S/C11H14FNO2/c1-11(2,12)5-7-15-10(14)9-4-3-6-13-8-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyDALWPZYNRQUVEZ-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 174924266
[2,2,8,8-tetramethyl-9-(pyridine-3-carbonyloxy)nonyl] pyridine-3-carboxylate
CID 3069675
3-(dimethylamino)propyl pyridine-3-carboxylate
CID 141402583
heptyl pyridine-3-carboxylate
CID 531638
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
2-oxopropyl pyridine-3-carboxylate
CID 69192363
3,3,4,4-tetrafluoropentyl benzoate
CID 58568301
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
(111C)methyl pyridine-3-carboxylate
CID 11309537
2-oxoethyl pyridine-3-carboxylate
CID 54542225
2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate
CID 3588

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3-methylbutyl) pyridine-3-carboxylate?
The IUPAC name of (3-fluoro-3-methylbutyl) pyridine-3-carboxylate (CID 146343265) is (3-fluoro-3-methylbutyl) pyridine-3-carboxylate.
What is the SMILES notation for (3-fluoro-3-methylbutyl) pyridine-3-carboxylate?
The canonical SMILES for (3-fluoro-3-methylbutyl) pyridine-3-carboxylate is CC(C)(F)CCOC(=O)c1cccnc1.
What is the InChIKey of (3-fluoro-3-methylbutyl) pyridine-3-carboxylate?
The InChIKey is DALWPZYNRQUVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-11(2,12)5-7-15-10(14)9-4-3-6-13-8-9/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of (3-fluoro-3-methylbutyl) pyridine-3-carboxylate?
(3-fluoro-3-methylbutyl) pyridine-3-carboxylate has a molecular weight of 211.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-methylbutyl) pyridine-3-carboxylate is sourced from PubChem (CID 146343265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).