4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

C13H7Cl2F3N2O2 — CID 22677250

IUPAC4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(Cl)cc2C(F)(F)F)nc(C(=O)O)c1Cl
InChIInChI=1S/C13H7Cl2F3N2O2/c14-5-1-2-6(7(3-5)13(16,17)18)9-4-8(19)10(15)11(20-9)12(21)22/h1-4H,(H2,19,20)(H,21,22)
InChIKeyBOUTZRLVXJRSJH-UHFFFAOYSA-N
MW351.11 g/mol
LogP4.35
Rot. Bonds2

About 4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 22677250) has the molecular formula C13H7Cl2F3N2O2 and a molecular weight of 351.11 g/mol. Its IUPAC name is 4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID22677250
Molecular FormulaC13H7Cl2F3N2O2
Molecular Weight351.11 g/mol
Exact Mass349.98
IUPAC Name4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(Cl)cc2C(F)(F)F)nc(C(=O)O)c1Cl
InChIInChI=1S/C13H7Cl2F3N2O2/c14-5-1-2-6(7(3-5)13(16,17)18)9-4-8(19)10(15)11(20-9)12(21)22/h1-4H,(H2,19,20)(H,21,22)
InChIKeyBOUTZRLVXJRSJH-UHFFFAOYSA-N
XLogP4.35
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.11
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 90440337
4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 68598483
4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 22677423
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 67420246
4-amino-6-[3,4-bis[fluoro(dihydroxy)methyl]phenyl]-3-chloropyridine-2-carboxylic acid
CID 68598493
3-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111366
4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
CID 22677524
4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid
CID 22677438
4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid
CID 69177481
4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid
CID 67420302
4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid
CID 69130474
ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 22677283

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (CID 22677250) is 4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is Nc1cc(-c2ccc(Cl)cc2C(F)(F)F)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is BOUTZRLVXJRSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3N2O2/c14-5-1-2-6(7(3-5)13(16,17)18)9-4-8(19)10(15)11(20-9)12(21)22/h1-4H,(H2,19,20)(H,21,22).
What are the key properties of 4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 351.11 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 22677250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).