4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide

C12H10BrN3O2 — CID 103589245

IUPAC4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2cc(N)cc(Br)c2)ccn1
InChIInChI=1S/C12H10BrN3O2/c13-7-3-8(14)5-10(4-7)18-9-1-2-16-11(6-9)12(15)17/h1-6H,14H2,(H2,15,17)
InChIKeyOKDBEIOSQDGLCM-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.32
Rot. Bonds3

About 4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide

4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide (PubChem CID 103589245) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide
PubChem CID103589245
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2cc(N)cc(Br)c2)ccn1
InChIInChI=1S/C12H10BrN3O2/c13-7-3-8(14)5-10(4-7)18-9-1-2-16-11(6-9)12(15)17/h1-6H,14H2,(H2,15,17)
InChIKeyOKDBEIOSQDGLCM-UHFFFAOYSA-N
XLogP2.32
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.32
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-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide
CID 103483894
5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid
CID 106502994
4-[4-(2-hydroxyethyl)phenoxy]pyridine-2-carboxamide
CID 107709658
methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate
CID 81332451
4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 51354511
carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 90856634
4-(2-chlorophenoxy)pyridine-2-carboxamide
CID 141149531
ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate
CID 65019269
4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide
CID 57470879
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166601537
4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 123767237

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide?
The IUPAC name of 4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide (CID 103589245) is 4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide is NC(=O)c1cc(Oc2cc(N)cc(Br)c2)ccn1.
What is the InChIKey of 4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide?
The InChIKey is OKDBEIOSQDGLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c13-7-3-8(14)5-10(4-7)18-9-1-2-16-11(6-9)12(15)17/h1-6H,14H2,(H2,15,17).
What are the key properties of 4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide?
4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide has a molecular weight of 308.14 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide is sourced from PubChem (CID 103589245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).