4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid

C13H10Br2N2O2 — CID 107600873

IUPAC4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2c(Br)cccc2Br)c(C(=O)O)cn1
InChIInChI=1S/C13H10Br2N2O2/c1-7-5-11(8(6-16-7)13(18)19)17-12-9(14)3-2-4-10(12)15/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyBWPVGUBJNCKAGL-UHFFFAOYSA-N
MW386.04 g/mol
LogP4.36
Rot. Bonds3

About 4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid

4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid (PubChem CID 107600873) has the molecular formula C13H10Br2N2O2 and a molecular weight of 386.04 g/mol. Its IUPAC name is 4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid
PubChem CID107600873
Molecular FormulaC13H10Br2N2O2
Molecular Weight386.04 g/mol
Exact Mass383.91
IUPAC Name4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2c(Br)cccc2Br)c(C(=O)O)cn1
InChIInChI=1S/C13H10Br2N2O2/c1-7-5-11(8(6-16-7)13(18)19)17-12-9(14)3-2-4-10(12)15/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyBWPVGUBJNCKAGL-UHFFFAOYSA-N
XLogP4.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid
CID 81243842
4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81244235
6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243431
N-(2,6-dibromophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 107603475
4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 104724456
4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233036
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359
4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid
CID 106760088
3-(2,6-dibromoanilino)pyridine-4-carboxylic acid
CID 107600894
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233035
4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid (CID 107600873) is 4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid is Cc1cc(Nc2c(Br)cccc2Br)c(C(=O)O)cn1.
What is the InChIKey of 4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is BWPVGUBJNCKAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2/c1-7-5-11(8(6-16-7)13(18)19)17-12-9(14)3-2-4-10(12)15/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid?
4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 386.04 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 107600873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).