6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid

C23H17N3O3 — CID 21195145

IUPAC6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(C(=O)O)n3)c2)cc1
InChIInChI=1S/C23H17N3O3/c1-29-17-10-8-15(9-11-17)16-13-21(18-5-2-3-12-24-18)26-22(14-16)19-6-4-7-20(25-19)23(27)28/h2-14H,1H3,(H,27,28)
InChIKeyPNDKVVPNQNVLCS-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.58
Rot. Bonds5

About 6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid

6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 21195145) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid
PubChem CID21195145
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(C(=O)O)n3)c2)cc1
InChIInChI=1S/C23H17N3O3/c1-29-17-10-8-15(9-11-17)16-13-21(18-5-2-3-12-24-18)26-22(14-16)19-6-4-7-20(25-19)23(27)28/h2-14H,1H3,(H,27,28)
InChIKeyPNDKVVPNQNVLCS-UHFFFAOYSA-N
XLogP4.58
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid (CID 21195145) is 6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid is COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(C(=O)O)n3)c2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is PNDKVVPNQNVLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-29-17-10-8-15(9-11-17)16-13-21(18-5-2-3-12-24-18)26-22(14-16)19-6-4-7-20(25-19)23(27)28/h2-14H,1H3,(H,27,28).
What are the key properties of 6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid?
6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 383.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 21195145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).