5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid

C17H12ClN3O2 — CID 162677159

IUPAC5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid
SMILESNc1ncc(-c2ccc(C(=O)O)nc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O2/c18-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(17(22)23)20-8-11/h1-9H,(H2,19,21)(H,22,23)
InChIKeyFFJFULQSGQIYAA-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.74
Rot. Bonds3

About 5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid

5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 162677159) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid
PubChem CID162677159
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid
SMILESNc1ncc(-c2ccc(C(=O)O)nc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O2/c18-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(17(22)23)20-8-11/h1-9H,(H2,19,21)(H,22,23)
InChIKeyFFJFULQSGQIYAA-UHFFFAOYSA-N
XLogP3.74
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(E)-2-(5-Chloro-2-guanidino-pyridin-3-yl)-vinyl]-benzoic acid
CID 9948854
4-(3,4-Dichlorophenyl)picolinic acid
CID 23445016
2-[2-[(4-Aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 66937174
3-[6-Amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid
CID 162645224
4-[6-Amino-5-(2-chlorophenyl)-3-pyridinyl]benzoic acid
CID 162649391
4-[6-Amino-5-(4-chlorophenyl)-3-pyridinyl]benzoic acid
CID 162656879
4-[6-Amino-5-(3-chlorophenyl)-3-pyridinyl]benzoic acid
CID 162676244
[3,3'-Bipyridine]-6-carboxylic acid
CID 46316070
5-(3-Chlorophenyl)pyridine-2-carboxylic acid
CID 50998560
5-[2-(4-Chloro-phenyl)-vinyl]-pyridine-2-carboxylic acid
CID 15121207
4-(4-Chlorophenyl)-2-[(3-pyridylmethyl)amino]-5-pyrimidinecarboxylic acid
CID 91915951
[3,4'-Bipyridine]-6-carboxylic acid
CID 46316071

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid (CID 162677159) is 5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid is Nc1ncc(-c2ccc(C(=O)O)nc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is FFJFULQSGQIYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(17(22)23)20-8-11/h1-9H,(H2,19,21)(H,22,23).
What are the key properties of 5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid?
5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 325.76 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 162677159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).