propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate

C15H14FNO2 — CID 91758799

IUPACpropan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(F)c(-c2ccccc2)n1
InChIInChI=1S/C15H14FNO2/c1-10(2)19-15(18)13-9-8-12(16)14(17-13)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyBQQPIFSAPDXQCE-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.45
Rot. Bonds3

About propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate

propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate (PubChem CID 91758799) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate
PubChem CID91758799
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Namepropan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(F)c(-c2ccccc2)n1
InChIInChI=1S/C15H14FNO2/c1-10(2)19-15(18)13-9-8-12(16)14(17-13)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyBQQPIFSAPDXQCE-UHFFFAOYSA-N
XLogP3.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl dipicolinate
CID 254510
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
4-Phenylpyridine-2,6-dicarboxylic acid
CID 12843432
Dimethyl pyridine-2,6-carboxylate
CID 79549
6-Phenylpyridine-2-carboxylic Acid
CID 2762884
Methyl 5-phenyl-1H-pyrrole-2-carboxylate
CID 11217902
2-Oxo-2-phenylethyl quinoline-2-carboxylate
CID 1158601
2-Quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester
CID 3151561
Ethyl 3,4-dimethylquinoline-2-carboxylate;hydrochloride
CID 16196364
Methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3243117
Methyl quinoline-2-carboxylate
CID 421738
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate?
The IUPAC name of propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate (CID 91758799) is propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate is CC(C)OC(=O)c1ccc(F)c(-c2ccccc2)n1.
What is the InChIKey of propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate?
The InChIKey is BQQPIFSAPDXQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10(2)19-15(18)13-9-8-12(16)14(17-13)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate?
propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate has a molecular weight of 259.28 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-fluoro-6-phenylpyridine-2-carboxylate is sourced from PubChem (CID 91758799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).