3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid

C14H12ClFN2O2 — CID 107061773

IUPAC3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCc2ccc(F)cc2)c1Cl
InChIInChI=1S/C14H12ClFN2O2/c15-12-11(14(19)20)6-8-18-13(12)17-7-5-9-1-3-10(16)4-2-9/h1-4,6,8H,5,7H2,(H,17,18)(H,19,20)
InChIKeyLGPAGZMUWHOFSO-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.23
Rot. Bonds5

About 3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid

3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 107061773) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid
PubChem CID107061773
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCc2ccc(F)cc2)c1Cl
InChIInChI=1S/C14H12ClFN2O2/c15-12-11(14(19)20)6-8-18-13(12)17-7-5-9-1-3-10(16)4-2-9/h1-4,6,8H,5,7H2,(H,17,18)(H,19,20)
InChIKeyLGPAGZMUWHOFSO-UHFFFAOYSA-N
XLogP3.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid
CID 62709932
3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
CID 105381797
3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062803
3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061923
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881
3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 107063076
3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061814
3-[2-(4-fluorophenyl)ethylamino]-1H-pyrazin-2-one;2,2,2-trifluoroacetic acid
CID 162324418
3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 106342812
3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
CID 107061768

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid (CID 107061773) is 3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCCc2ccc(F)cc2)c1Cl.
What is the InChIKey of 3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is LGPAGZMUWHOFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-12-11(14(19)20)6-8-18-13(12)17-7-5-9-1-3-10(16)4-2-9/h1-4,6,8H,5,7H2,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid?
3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 294.71 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107061773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).