4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid

C19H13ClFN3O2 — CID 118211396

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid
SMILESC=Cc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)O
InChIInChI=1S/C19H13ClFN3O2/c1-2-11-9-23-18(13-7-12(20)3-4-15(13)21)8-17(11)24-16-5-6-22-10-14(16)19(25)26/h2-10H,1H2,(H,25,26)(H,22,23,24)
InChIKeyVFSGHVVMCZRZPD-UHFFFAOYSA-N
MW369.78 g/mol
LogP5.02
Rot. Bonds5

About 4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid

4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid (PubChem CID 118211396) has the molecular formula C19H13ClFN3O2 and a molecular weight of 369.78 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid
PubChem CID118211396
Molecular FormulaC19H13ClFN3O2
Molecular Weight369.78 g/mol
Exact Mass369.07
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid
SMILESC=Cc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)O
InChIInChI=1S/C19H13ClFN3O2/c1-2-11-9-23-18(13-7-12(20)3-4-15(13)21)8-17(11)24-16-5-6-22-10-14(16)19(25)26/h2-10H,1H2,(H,25,26)(H,22,23,24)
InChIKeyVFSGHVVMCZRZPD-UHFFFAOYSA-N
XLogP5.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.78
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid (CID 118211396) is 4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid is C=Cc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)O.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid?
The InChIKey is VFSGHVVMCZRZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2/c1-2-11-9-23-18(13-7-12(20)3-4-15(13)21)8-17(11)24-16-5-6-22-10-14(16)19(25)26/h2-10H,1H2,(H,25,26)(H,22,23,24).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid?
4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid has a molecular weight of 369.78 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)-5-ethenyl-4-pyridinyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 118211396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).