2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine

C17H14N2O4 — CID 71422470

IUPAC2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine
SMILESO=C(O)c1ccc(O)cc1O.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C7H6O4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;8-4-1-2-5(7(10)11)6(9)3-4/h1-8H;1-3,8-9H,(H,10,11)
InChIKeyQQDHTEYLNRVXDO-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.94
Rot. Bonds2

About 2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine

2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine (PubChem CID 71422470) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine
PubChem CID71422470
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine
SMILESO=C(O)c1ccc(O)cc1O.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/C10H8N2.C7H6O4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;8-4-1-2-5(7(10)11)6(9)3-4/h1-8H;1-3,8-9H,(H,10,11)
InChIKeyQQDHTEYLNRVXDO-UHFFFAOYSA-N
XLogP2.94
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine?
The IUPAC name of 2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine (CID 71422470) is 2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine.
What is the SMILES notation for 2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine?
The canonical SMILES for 2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine is O=C(O)c1ccc(O)cc1O.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of 2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine?
The InChIKey is QQDHTEYLNRVXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C7H6O4/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;8-4-1-2-5(7(10)11)6(9)3-4/h1-8H;1-3,8-9H,(H,10,11).
What are the key properties of 2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine?
2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine has a molecular weight of 310.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxybenzoic acid;4-pyridin-4-ylpyridine is sourced from PubChem (CID 71422470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).