6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid

C13H10Br2N2O2 — CID 106904582

IUPAC6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNc2cc(Br)ccc2Br)n1
InChIInChI=1S/C13H10Br2N2O2/c14-8-4-5-10(15)12(6-8)16-7-9-2-1-3-11(17-9)13(18)19/h1-6,16H,7H2,(H,18,19)
InChIKeyPDKQBPZUSXRJRE-UHFFFAOYSA-N
MW386.04 g/mol
LogP3.92
Rot. Bonds4

About 6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid

6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid (PubChem CID 106904582) has the molecular formula C13H10Br2N2O2 and a molecular weight of 386.04 g/mol. Its IUPAC name is 6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid
PubChem CID106904582
Molecular FormulaC13H10Br2N2O2
Molecular Weight386.04 g/mol
Exact Mass383.91
IUPAC Name6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNc2cc(Br)ccc2Br)n1
InChIInChI=1S/C13H10Br2N2O2/c14-8-4-5-10(15)12(6-8)16-7-9-2-1-3-11(17-9)13(18)19/h1-6,16H,7H2,(H,18,19)
InChIKeyPDKQBPZUSXRJRE-UHFFFAOYSA-N
XLogP3.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 53.92
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-bromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904396
6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904439
6-[(2-bromo-5-chloro-4-methylanilino)methyl]pyridine-2-carboxylic acid
CID 106904956
2,5-dibromo-N-(pyridin-2-ylmethyl)aniline
CID 43736724
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106904347
6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904521
6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904588
6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
CID 106904394
6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid
CID 106904725
6-[[(1,3-dioxo-2-benzofuran-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 156761601
2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline
CID 43789270

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid (CID 106904582) is 6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CNc2cc(Br)ccc2Br)n1.
What is the InChIKey of 6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid?
The InChIKey is PDKQBPZUSXRJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2/c14-8-4-5-10(15)12(6-8)16-7-9-2-1-3-11(17-9)13(18)19/h1-6,16H,7H2,(H,18,19).
What are the key properties of 6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid?
6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid has a molecular weight of 386.04 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).