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

C12H5Cl5N2O2 — CID 134624256

IUPAC3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc1C(=O)O
InChIInChI=1S/C12H5Cl5N2O2/c13-6-5(7(14)9(16)10(17)8(6)15)4-2-1-3(18)11(19-4)12(20)21/h1-2H,18H2,(H,20,21)
InChIKeyXBWVBTTXDHYLRI-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.30
Rot. Bonds2

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

3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid (PubChem CID 134624256) has the molecular formula C12H5Cl5N2O2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid
PubChem CID134624256
Molecular FormulaC12H5Cl5N2O2
Molecular Weight386.45 g/mol
Exact Mass383.88
IUPAC Name3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc1C(=O)O
InChIInChI=1S/C12H5Cl5N2O2/c13-6-5(7(14)9(16)10(17)8(6)15)4-2-1-3(18)11(19-4)12(20)21/h1-2H,18H2,(H,20,21)
InChIKeyXBWVBTTXDHYLRI-UHFFFAOYSA-N
XLogP5.30
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134636979
3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid
CID 140591026
3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 169133743
4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylic acid
CID 22677268
3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133090327
4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid
CID 22677438
4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 22677423
4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid
CID 22677351
4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
CID 22677524
4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 68598483
4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid
CID 123931312
4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 22677250

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid (CID 134624256) is 3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid is Nc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid?
The InChIKey is XBWVBTTXDHYLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl5N2O2/c13-6-5(7(14)9(16)10(17)8(6)15)4-2-1-3(18)11(19-4)12(20)21/h1-2H,18H2,(H,20,21).
What are the key properties of 3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid?
3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid has a molecular weight of 386.45 g/mol, XLogP of 5.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 134624256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).