(6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate

C16H15ClFNO3 — CID 78846147

IUPAC(6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)OCc1ccc(Cl)nc1
InChIInChI=1S/C16H15ClFNO3/c1-16(2,22-13-6-4-12(18)5-7-13)15(20)21-10-11-3-8-14(17)19-9-11/h3-9H,10H2,1-2H3
InChIKeyKYHMWYCIRNSJBG-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.77
Rot. Bonds5

About (6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate

(6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate (PubChem CID 78846147) has the molecular formula C16H15ClFNO3 and a molecular weight of 323.75 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate
PubChem CID78846147
Molecular FormulaC16H15ClFNO3
Molecular Weight323.75 g/mol
Exact Mass323.07
IUPAC Name(6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)OCc1ccc(Cl)nc1
InChIInChI=1S/C16H15ClFNO3/c1-16(2,22-13-6-4-12(18)5-7-13)15(20)21-10-11-3-8-14(17)19-9-11/h3-9H,10H2,1-2H3
InChIKeyKYHMWYCIRNSJBG-UHFFFAOYSA-N
XLogP3.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-fluorophenoxy)-2-methylpropanoyl]oxypropyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 70876323
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 78841391
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 78805042
(2,3,4,5,6-pentafluorophenyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 524789
(2-chlorophenyl) 2-(4-fluorophenoxy)-2-methylpropanoate
CID 78791173
2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid
CID 71739073
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 78846639
5-[(4-tert-butylphenoxy)methyl]-2-chloropyridine
CID 28537518
4-(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxybenzoic acid
CID 67548633
(6-chloro-3-pyridinyl)methyl N-(2,2,2-trichloroacetyl)carbamate
CID 56976750
(4-fluorophenyl)methyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 71672754

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The IUPAC name of (6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate (CID 78846147) is (6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate.
What is the SMILES notation for (6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The canonical SMILES for (6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate is CC(C)(Oc1ccc(F)cc1)C(=O)OCc1ccc(Cl)nc1.
What is the InChIKey of (6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The InChIKey is KYHMWYCIRNSJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3/c1-16(2,22-13-6-4-12(18)5-7-13)15(20)21-10-11-3-8-14(17)19-9-11/h3-9H,10H2,1-2H3.
What are the key properties of (6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate?
(6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate has a molecular weight of 323.75 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 78846147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).