6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid

C14H13BrClN3O2 — CID 155300865

IUPAC6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid
SMILESCN(C)c1c(Cl)cccc1Nc1nc(Br)ccc1C(=O)O
InChIInChI=1S/C14H13BrClN3O2/c1-19(2)12-9(16)4-3-5-10(12)17-13-8(14(20)21)6-7-11(15)18-13/h3-7H,1-2H3,(H,17,18)(H,20,21)
InChIKeyHKJXABFQICQYFI-UHFFFAOYSA-N
MW370.63 g/mol
LogP4.01
Rot. Bonds4

About 6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid

6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid (PubChem CID 155300865) has the molecular formula C14H13BrClN3O2 and a molecular weight of 370.63 g/mol. Its IUPAC name is 6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid
PubChem CID155300865
Molecular FormulaC14H13BrClN3O2
Molecular Weight370.63 g/mol
Exact Mass368.99
IUPAC Name6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid
SMILESCN(C)c1c(Cl)cccc1Nc1nc(Br)ccc1C(=O)O
InChIInChI=1S/C14H13BrClN3O2/c1-19(2)12-9(16)4-3-5-10(12)17-13-8(14(20)21)6-7-11(15)18-13/h3-7H,1-2H3,(H,17,18)(H,20,21)
InChIKeyHKJXABFQICQYFI-UHFFFAOYSA-N
XLogP4.01
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[3-chloro-2-(dimethylamino)anilino]-4-methylbenzoic acid
CID 155297641
6-chloro-2-(3-chloro-2-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 155300840
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 114327743
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752467
3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 67783774
6-[3-chloro-2-(dimethylamino)anilino]-6-oxohexanoic acid
CID 60940353
3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid
CID 43699684
3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812870
N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257815
2-(2-bromo-3-chloroanilino)benzoic acid
CID 103480389
2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868200

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid (CID 155300865) is 6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid is CN(C)c1c(Cl)cccc1Nc1nc(Br)ccc1C(=O)O.
What is the InChIKey of 6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid?
The InChIKey is HKJXABFQICQYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O2/c1-19(2)12-9(16)4-3-5-10(12)17-13-8(14(20)21)6-7-11(15)18-13/h3-7H,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid?
6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid has a molecular weight of 370.63 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[3-chloro-2-(dimethylamino)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 155300865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).