2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid

C12H7BrF2N2O2 — CID 105382643

IUPAC2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2ccc(F)c(Br)c2)c1F
InChIInChI=1S/C12H7BrF2N2O2/c13-8-5-6(1-2-9(8)14)17-11-10(15)7(12(18)19)3-4-16-11/h1-5H,(H,16,17)(H,18,19)
InChIKeyRASKTQIJAUGBOG-UHFFFAOYSA-N
MW329.10 g/mol
LogP3.56
Rot. Bonds3

About 2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid

2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382643) has the molecular formula C12H7BrF2N2O2 and a molecular weight of 329.10 g/mol. Its IUPAC name is 2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
PubChem CID105382643
Molecular FormulaC12H7BrF2N2O2
Molecular Weight329.10 g/mol
Exact Mass327.97
IUPAC Name2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2ccc(F)c(Br)c2)c1F
InChIInChI=1S/C12H7BrF2N2O2/c13-8-5-6(1-2-9(8)14)17-11-10(15)7(12(18)19)3-4-16-11/h1-5H,(H,16,17)(H,18,19)
InChIKeyRASKTQIJAUGBOG-UHFFFAOYSA-N
XLogP3.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid
CID 107588904
3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
CID 105382529
3-fluoro-2-(4-methylsulfonylanilino)pyridine-4-carboxylic acid
CID 105381849
2-[4-(cyanomethyl)anilino]-3-fluoropyridine-4-carboxylic acid
CID 105382235
5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid
CID 113452425
2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382099
2-amino-N-(3-bromo-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105387341
2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 107949182
3-amino-2-(4-bromo-3-iodoanilino)pyridine-4-carboxylic acid
CID 114261364
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381770
2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382350

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid (CID 105382643) is 2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid is O=C(O)c1ccnc(Nc2ccc(F)c(Br)c2)c1F.
What is the InChIKey of 2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is RASKTQIJAUGBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O2/c13-8-5-6(1-2-9(8)14)17-11-10(15)7(12(18)19)3-4-16-11/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid?
2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 329.10 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).