2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate

C14H10ClFNO4- — CID 22590912

IUPAC2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCC(Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)[O-]
InChIInChI=1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/p-1
InChIKeyYUIKUTLBPMDDNQ-UHFFFAOYSA-M
MW310.69 g/mol
LogP2.18
Rot. Bonds5

About 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate

2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate (PubChem CID 22590912) has the molecular formula C14H10ClFNO4- and a molecular weight of 310.69 g/mol. Its IUPAC name is 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Name2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
PubChem CID22590912
Molecular FormulaC14H10ClFNO4-
Molecular Weight310.69 g/mol
Exact Mass310.03
IUPAC Name2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCC(Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)[O-]
InChIInChI=1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/p-1
InChIKeyYUIKUTLBPMDDNQ-UHFFFAOYSA-M
XLogP2.18
TPSA71.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 67929203
CID 67929203
ethynyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 139247839
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide
CID 155669175
(2-ethoxy-2-oxoethyl)sulfanyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54054161
2-(4-chlorophenoxy)propanoate
CID 4556388
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 141423376
(2-butoxy-2-oxoethyl)sulfanyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54012610
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide
CID 141423423
2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 15592839
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
5-chloro-3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 79727500
5-chloro-3-fluoro-2-(4-nitrophenoxy)pyridine
CID 79728734

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate?
The IUPAC name of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate (CID 22590912) is 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate.
What is the SMILES notation for 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate?
The canonical SMILES for 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate is CC(Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)[O-].
What is the InChIKey of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate?
The InChIKey is YUIKUTLBPMDDNQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/p-1.
What are the key properties of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate?
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate has a molecular weight of 310.69 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate is sourced from PubChem (CID 22590912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).