5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid

C17H15Cl2FN2O3 — CID 122485893

IUPAC5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid
SMILESO=C(O)c1cc(Cl)c(OC2CCN(c3cncc(Cl)c3)CC2)cc1F
InChIInChI=1S/C17H15Cl2FN2O3/c18-10-5-11(9-21-8-10)22-3-1-12(2-4-22)25-16-7-15(20)13(17(23)24)6-14(16)19/h5-9,12H,1-4H2,(H,23,24)
InChIKeySVOJHSKRXVNIBF-UHFFFAOYSA-N
MW385.22 g/mol
LogP4.27
Rot. Bonds4

About 5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid

5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid (PubChem CID 122485893) has the molecular formula C17H15Cl2FN2O3 and a molecular weight of 385.22 g/mol. Its IUPAC name is 5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid
PubChem CID122485893
Molecular FormulaC17H15Cl2FN2O3
Molecular Weight385.22 g/mol
Exact Mass384.04
IUPAC Name5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid
SMILESO=C(O)c1cc(Cl)c(OC2CCN(c3cncc(Cl)c3)CC2)cc1F
InChIInChI=1S/C17H15Cl2FN2O3/c18-10-5-11(9-21-8-10)22-3-1-12(2-4-22)25-16-7-15(20)13(17(23)24)6-14(16)19/h5-9,12H,1-4H2,(H,23,24)
InChIKeySVOJHSKRXVNIBF-UHFFFAOYSA-N
XLogP4.27
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-4-[1-[3-chloro-4-(difluoromethoxy)phenyl]piperidin-4-yl]oxy-2-fluorophenyl]ethanone
CID 145132104
5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide
CID 145132178
3-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-N-methylsulfanylbenzamide;fluoromethane
CID 145131872
4-(6-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-2-fluorobenzoic acid
CID 140665983
5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide
CID 122485924
6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid
CID 16731863
5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
CID 22145848
4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate
CID 158871205
5-chloro-2-fluoro-4-[(1-methyl-3-tricyclo[3.1.0.02,6]hexanyl)oxy]benzoic acid
CID 123473160
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzoic acid
CID 118120756
5-chloro-2-fluoro-4-[(5-methoxy-2-adamantyl)oxy]benzoic acid
CID 90016388

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid?
The IUPAC name of 5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid (CID 122485893) is 5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid.
What is the SMILES notation for 5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid?
The canonical SMILES for 5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid is O=C(O)c1cc(Cl)c(OC2CCN(c3cncc(Cl)c3)CC2)cc1F.
What is the InChIKey of 5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid?
The InChIKey is SVOJHSKRXVNIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O3/c18-10-5-11(9-21-8-10)22-3-1-12(2-4-22)25-16-7-15(20)13(17(23)24)6-14(16)19/h5-9,12H,1-4H2,(H,23,24).
What are the key properties of 5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid?
5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid has a molecular weight of 385.22 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-(5-chloro-3-pyridinyl)piperidin-4-yl]oxy-2-fluorobenzoic acid is sourced from PubChem (CID 122485893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).