6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid

C13H9Br3N2O2 — CID 106904439

IUPAC6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNc2c(Br)cc(Br)cc2Br)n1
InChIInChI=1S/C13H9Br3N2O2/c14-7-4-9(15)12(10(16)5-7)17-6-8-2-1-3-11(18-8)13(19)20/h1-5,17H,6H2,(H,19,20)
InChIKeyYCDDILOJXKWHLV-UHFFFAOYSA-N
MW464.94 g/mol
LogP4.68
Rot. Bonds4

About 6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid

6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904439) has the molecular formula C13H9Br3N2O2 and a molecular weight of 464.94 g/mol. Its IUPAC name is 6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid
PubChem CID106904439
Molecular FormulaC13H9Br3N2O2
Molecular Weight464.94 g/mol
Exact Mass461.82
IUPAC Name6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNc2c(Br)cc(Br)cc2Br)n1
InChIInChI=1S/C13H9Br3N2O2/c14-7-4-9(15)12(10(16)5-7)17-6-8-2-1-3-11(18-8)13(19)20/h1-5,17H,6H2,(H,19,20)
InChIKeyYCDDILOJXKWHLV-UHFFFAOYSA-N
XLogP4.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.94
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,4-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904620
6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904582
6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904396
6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid
CID 106904956
6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904588
6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
CID 106904394
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904521
6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid
CID 106904433
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid
CID 106904488
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid (CID 106904439) is 6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CNc2c(Br)cc(Br)cc2Br)n1.
What is the InChIKey of 6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid?
The InChIKey is YCDDILOJXKWHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3N2O2/c14-7-4-9(15)12(10(16)5-7)17-6-8-2-1-3-11(18-8)13(19)20/h1-5,17H,6H2,(H,19,20).
What are the key properties of 6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid?
6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid has a molecular weight of 464.94 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).