6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid

C17H17ClFN3O2 — CID 58439807

IUPAC6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)cc1NC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H17ClFN3O2/c18-16-9-15(14(10-20-16)17(23)24)21-12-5-7-22(8-6-12)13-3-1-11(19)2-4-13/h1-4,9-10,12H,5-8H2,(H,20,21)(H,23,24)
InChIKeyXJXMMAJGFFWLFB-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.65
Rot. Bonds4

About 6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid

6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid (PubChem CID 58439807) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid
PubChem CID58439807
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)cc1NC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H17ClFN3O2/c18-16-9-15(14(10-20-16)17(23)24)21-12-5-7-22(8-6-12)13-3-1-11(19)2-4-13/h1-4,9-10,12H,5-8H2,(H,20,21)(H,23,24)
InChIKeyXJXMMAJGFFWLFB-UHFFFAOYSA-N
XLogP3.65
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid (CID 58439807) is 6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1cnc(Cl)cc1NC1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is XJXMMAJGFFWLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c18-16-9-15(14(10-20-16)17(23)24)21-12-5-7-22(8-6-12)13-3-1-11(19)2-4-13/h1-4,9-10,12H,5-8H2,(H,20,21)(H,23,24).
What are the key properties of 6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid?
6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 349.79 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[1-(4-fluorophenyl)piperidin-4-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 58439807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).