4-hydroxybenzoic acid;pyridine

C12H11NO3 — CID 139070514

IUPAC4-hydroxybenzoic acid;pyridine
SMILESO=C(O)c1ccc(O)cc1.c1ccncc1
InChIInChI=1S/C7H6O3.C5H5N/c8-6-3-1-5(2-4-6)7(9)10;1-2-4-6-5-3-1/h1-4,8H,(H,9,10);1-5H
InChIKeyPXGVNTZTXJYPGP-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.17
Rot. Bonds1

About 4-hydroxybenzoic acid;pyridine

4-hydroxybenzoic acid;pyridine (PubChem CID 139070514) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-hydroxybenzoic acid;pyridine.

Molecular Properties

Compound Name4-hydroxybenzoic acid;pyridine
PubChem CID139070514
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-hydroxybenzoic acid;pyridine
SMILESO=C(O)c1ccc(O)cc1.c1ccncc1
InChIInChI=1S/C7H6O3.C5H5N/c8-6-3-1-5(2-4-6)7(9)10;1-2-4-6-5-3-1/h1-4,8H,(H,9,10);1-5H
InChIKeyPXGVNTZTXJYPGP-UHFFFAOYSA-N
XLogP2.17
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1515244
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CID 5356048
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CID 6862721
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CID 821692
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CID 2795562
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CID 12130775
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CID 19564789
CID 19564789

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzoic acid;pyridine?
The IUPAC name of 4-hydroxybenzoic acid;pyridine (CID 139070514) is 4-hydroxybenzoic acid;pyridine.
What is the SMILES notation for 4-hydroxybenzoic acid;pyridine?
The canonical SMILES for 4-hydroxybenzoic acid;pyridine is O=C(O)c1ccc(O)cc1.c1ccncc1.
What is the InChIKey of 4-hydroxybenzoic acid;pyridine?
The InChIKey is PXGVNTZTXJYPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C5H5N/c8-6-3-1-5(2-4-6)7(9)10;1-2-4-6-5-3-1/h1-4,8H,(H,9,10);1-5H.
What are the key properties of 4-hydroxybenzoic acid;pyridine?
4-hydroxybenzoic acid;pyridine has a molecular weight of 217.22 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzoic acid;pyridine is sourced from PubChem (CID 139070514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).