4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide

C12H9BrClN3O — CID 55157438

IUPAC4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2ccc(Cl)cc2Br)ccn1
InChIInChI=1S/C12H9BrClN3O/c13-9-5-7(14)1-2-11(9)18-8-3-4-17-10(6-8)12(15)16/h1-6H,(H3,15,16)
InChIKeySUUBCIILSFPSBT-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.57
Rot. Bonds3

About 4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide

4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide (PubChem CID 55157438) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is 4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide
PubChem CID55157438
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC Name4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2ccc(Cl)cc2Br)ccn1
InChIInChI=1S/C12H9BrClN3O/c13-9-5-7(14)1-2-11(9)18-8-3-4-17-10(6-8)12(15)16/h1-6H,(H3,15,16)
InChIKeySUUBCIILSFPSBT-UHFFFAOYSA-N
XLogP3.57
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-4-chlorophenoxy)pyridine-2-carbothioamide
CID 62924720
4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide
CID 62925834
4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide
CID 65126654
4-(2-methoxy-4-methylphenoxy)pyridine-2-carboximidamide
CID 62925806
4-(2-ethoxyphenoxy)pyridine-2-carboximidamide
CID 62926158
3-bromo-4-(3,4-dichlorophenoxy)benzenecarboximidamide
CID 82799447
4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide
CID 62925467
2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61176543
4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
CID 55155138
5-(2-bromo-4-chlorophenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 63750877
4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide
CID 62926157
3-bromo-4-(4-bromo-3-fluorophenoxy)benzenecarboximidamide
CID 82799032

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide?
The IUPAC name of 4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide (CID 55157438) is 4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide?
The canonical SMILES for 4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(Oc2ccc(Cl)cc2Br)ccn1.
What is the InChIKey of 4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide?
The InChIKey is SUUBCIILSFPSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-9-5-7(14)1-2-11(9)18-8-3-4-17-10(6-8)12(15)16/h1-6H,(H3,15,16).
What are the key properties of 4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide?
4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide has a molecular weight of 326.58 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 55157438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).