4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide

C12H9BrFN3O2 — CID 103483894

IUPAC4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2cc(F)c(Br)cc2N)ccn1
InChIInChI=1S/C12H9BrFN3O2/c13-7-4-9(15)11(5-8(7)14)19-6-1-2-17-10(3-6)12(16)18/h1-5H,15H2,(H2,16,18)
InChIKeyNHCPUIPWZZHGRW-UHFFFAOYSA-N
MW326.13 g/mol
LogP2.46
Rot. Bonds3

About 4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide

4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide (PubChem CID 103483894) has the molecular formula C12H9BrFN3O2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide
PubChem CID103483894
Molecular FormulaC12H9BrFN3O2
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2cc(F)c(Br)cc2N)ccn1
InChIInChI=1S/C12H9BrFN3O2/c13-7-4-9(15)11(5-8(7)14)19-6-1-2-17-10(3-6)12(16)18/h1-5H,15H2,(H2,16,18)
InChIKeyNHCPUIPWZZHGRW-UHFFFAOYSA-N
XLogP2.46
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(5-amino-2-bromophenoxy)pyridine-2-carboxamide
CID 103011692
4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide
CID 57470879
4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide
CID 103589245
4-amino-3-(3-bromo-4-fluorophenoxy)benzamide
CID 83233647
4-(2-chlorophenoxy)pyridine-2-carboxamide
CID 141149531
4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 123767237
methyl 4-(2-amino-4-bromo-5-fluorophenoxy)pyrimidine-2-carboxylate
CID 103483878
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157
3-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluoroanilino]-3-oxopropanoic acid
CID 141149507
methyl 4-(2-amino-4-bromophenoxy)pyridine-2-carboxylate
CID 66287690
4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 43325985
5-bromo-2-(3-tert-butylphenoxy)-4-fluoroaniline
CID 66111747

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide?
The IUPAC name of 4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide (CID 103483894) is 4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide is NC(=O)c1cc(Oc2cc(F)c(Br)cc2N)ccn1.
What is the InChIKey of 4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide?
The InChIKey is NHCPUIPWZZHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O2/c13-7-4-9(15)11(5-8(7)14)19-6-1-2-17-10(3-6)12(16)18/h1-5H,15H2,(H2,16,18).
What are the key properties of 4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide?
4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide has a molecular weight of 326.13 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide is sourced from PubChem (CID 103483894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).