4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid

C15H10ClN3O2 — CID 118978687

IUPAC4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncc(-n3ccnc3)cc2Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-13-7-12(19-6-5-17-9-19)8-18-14(13)10-1-3-11(4-2-10)15(20)21/h1-9H,(H,20,21)
InChIKeyHJYRDXSTWFCIIY-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.29
Rot. Bonds3

About 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid

4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid (PubChem CID 118978687) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid
PubChem CID118978687
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncc(-n3ccnc3)cc2Cl)cc1
InChIInChI=1S/C15H10ClN3O2/c16-13-7-12(19-6-5-17-9-19)8-18-14(13)10-1-3-11(4-2-10)15(20)21/h1-9H,(H,20,21)
InChIKeyHJYRDXSTWFCIIY-UHFFFAOYSA-N
XLogP3.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid?
The IUPAC name of 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid (CID 118978687) is 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid?
The canonical SMILES for 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid is O=C(O)c1ccc(-c2ncc(-n3ccnc3)cc2Cl)cc1.
What is the InChIKey of 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid?
The InChIKey is HJYRDXSTWFCIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-13-7-12(19-6-5-17-9-19)8-18-14(13)10-1-3-11(4-2-10)15(20)21/h1-9H,(H,20,21).
What are the key properties of 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid?
4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid has a molecular weight of 299.72 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid is sourced from PubChem (CID 118978687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).