4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid

C13H7Cl2N3O2 — CID 90440272

IUPAC4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid
SMILESN#Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2Cl)cc1
InChIInChI=1S/C13H7Cl2N3O2/c14-8-10(17)9(15)12(13(19)20)18-11(8)7-3-1-6(5-16)2-4-7/h1-4H,(H2,17,18)(H,19,20)
InChIKeyXZCUAKQTPCCWJT-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.21
Rot. Bonds2

About 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid

4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid (PubChem CID 90440272) has the molecular formula C13H7Cl2N3O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid
PubChem CID90440272
Molecular FormulaC13H7Cl2N3O2
Molecular Weight308.12 g/mol
Exact Mass306.99
IUPAC Name4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid
SMILESN#Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2Cl)cc1
InChIInChI=1S/C13H7Cl2N3O2/c14-8-10(17)9(15)12(13(19)20)18-11(8)7-3-1-6(5-16)2-4-7/h1-4H,(H2,17,18)(H,19,20)
InChIKeyXZCUAKQTPCCWJT-UHFFFAOYSA-N
XLogP3.21
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 90409966
4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid
CID 78319096
4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 137484739
4-amino-3-chloro-5-fluoro-6-[4-(2-oxoethenyl)phenyl]pyridine-2-carboxylic acid
CID 176525919
5-(4-cyanophenyl)-1,3-thiazole-4-carboxylic acid
CID 168950758
5-(4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169401962
4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
CID 90409767
4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
CID 163642311
4-[4-(4-cyanophenyl)phenyl]benzoic acid
CID 102170624
6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 118645877
2-amino-5-(4-cyanophenyl)pyridine-4-carboxylic acid
CID 53222623
4-(5-amino-1,3-thiazol-4-yl)benzonitrile
CID 62081865

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid (CID 90440272) is 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid is N#Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2Cl)cc1.
What is the InChIKey of 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid?
The InChIKey is XZCUAKQTPCCWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O2/c14-8-10(17)9(15)12(13(19)20)18-11(8)7-3-1-6(5-16)2-4-7/h1-4H,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid?
4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid has a molecular weight of 308.12 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 90440272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).