5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid

C25H14ClFN4O2 — CID 71008058

IUPAC5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1
InChIInChI=1S/C25H14ClFN4O2/c26-17-4-5-21(27)20(9-17)23-10-19(18-2-1-7-29-24(18)31-23)16-8-15(11-28-12-16)14-3-6-22(25(32)33)30-13-14/h1-13H,(H,32,33)
InChIKeyVARVAEDMHKKPGF-UHFFFAOYSA-N
MW456.86 g/mol
LogP5.91
Rot. Bonds4

About 5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid

5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 71008058) has the molecular formula C25H14ClFN4O2 and a molecular weight of 456.86 g/mol. Its IUPAC name is 5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid
PubChem CID71008058
Molecular FormulaC25H14ClFN4O2
Molecular Weight456.86 g/mol
Exact Mass456.08
IUPAC Name5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1
InChIInChI=1S/C25H14ClFN4O2/c26-17-4-5-21(27)20(9-17)23-10-19(18-2-1-7-29-24(18)31-23)16-8-15(11-28-12-16)14-3-6-22(25(32)33)30-13-14/h1-13H,(H,32,33)
InChIKeyVARVAEDMHKKPGF-UHFFFAOYSA-N
XLogP5.91
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.86
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid (CID 71008058) is 5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.
What is the InChIKey of 5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is VARVAEDMHKKPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14ClFN4O2/c26-17-4-5-21(27)20(9-17)23-10-19(18-2-1-7-29-24(18)31-23)16-8-15(11-28-12-16)14-3-6-22(25(32)33)30-13-14/h1-13H,(H,32,33).
What are the key properties of 5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid?
5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 456.86 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 71008058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).