3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid

C12H7Cl2NO2 — CID 53224000

IUPAC3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl2NO2/c13-7-1-2-11(14)9(5-7)10-6-15-4-3-8(10)12(16)17/h1-6H,(H,16,17)
InChIKeyDLATZFALDRKSNW-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.75
Rot. Bonds2

About 3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid

3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid (PubChem CID 53224000) has the molecular formula C12H7Cl2NO2 and a molecular weight of 268.10 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
PubChem CID53224000
Molecular FormulaC12H7Cl2NO2
Molecular Weight268.10 g/mol
Exact Mass266.99
IUPAC Name3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl2NO2/c13-7-1-2-11(14)9(5-7)10-6-15-4-3-8(10)12(16)17/h1-6H,(H,16,17)
InChIKeyDLATZFALDRKSNW-UHFFFAOYSA-N
XLogP3.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
3-(5-chloro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 114731678
4-chloro-2-(3-methyl-4-pyridinyl)benzoic acid
CID 107989750
3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53223423
3-(2,4,5-trifluorophenyl)pyridine-4-carboxylic acid
CID 115503075
3-(2,3,4,6-tetrachlorophenyl)pyridine-4-carboxylic acid
CID 105349855
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
4-chloro-2-isoquinolin-5-ylbenzoic acid
CID 107989688
4-chloro-2-isoquinolin-8-ylbenzoic acid
CID 107989947
3-(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313119

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid (CID 53224000) is 3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid is O=C(O)c1ccncc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid?
The InChIKey is DLATZFALDRKSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO2/c13-7-1-2-11(14)9(5-7)10-6-15-4-3-8(10)12(16)17/h1-6H,(H,16,17).
What are the key properties of 3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid?
3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid has a molecular weight of 268.10 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 53224000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).