(6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone

C15H13BrClN3O2 — CID 166330434

IUPAC(6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone
SMILESNc1ncc(C(=O)N2CC(Oc3ccc(Br)cc3)C2)cc1Cl
InChIInChI=1S/C15H13BrClN3O2/c16-10-1-3-11(4-2-10)22-12-7-20(8-12)15(21)9-5-13(17)14(18)19-6-9/h1-6,12H,7-8H2,(H2,18,19)
InChIKeyBWCISFIHQLCBAH-UHFFFAOYSA-N
MW382.65 g/mol
LogP2.98
Rot. Bonds3

About (6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone

(6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone (PubChem CID 166330434) has the molecular formula C15H13BrClN3O2 and a molecular weight of 382.65 g/mol. Its IUPAC name is (6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone
PubChem CID166330434
Molecular FormulaC15H13BrClN3O2
Molecular Weight382.65 g/mol
Exact Mass380.99
IUPAC Name(6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone
SMILESNc1ncc(C(=O)N2CC(Oc3ccc(Br)cc3)C2)cc1Cl
InChIInChI=1S/C15H13BrClN3O2/c16-10-1-3-11(4-2-10)22-12-7-20(8-12)15(21)9-5-13(17)14(18)19-6-9/h1-6,12H,7-8H2,(H2,18,19)
InChIKeyBWCISFIHQLCBAH-UHFFFAOYSA-N
XLogP2.98
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.65
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
CID 130159370
(6-amino-5-chloro-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone
CID 55042155
(5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627581
2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252310
[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133345932
(5-bromo-3-pyridinyl)-[3-[(4-chloro-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone
CID 71796217
6-amino-5-chloro-N-hydroxypyridine-3-carboxamide
CID 130615065
4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256718
(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 62155962
[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55787670
(6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62160898
1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 91814906

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone?
The IUPAC name of (6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone (CID 166330434) is (6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone.
What is the SMILES notation for (6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone?
The canonical SMILES for (6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone is Nc1ncc(C(=O)N2CC(Oc3ccc(Br)cc3)C2)cc1Cl.
What is the InChIKey of (6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone?
The InChIKey is BWCISFIHQLCBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3O2/c16-10-1-3-11(4-2-10)22-12-7-20(8-12)15(21)9-5-13(17)14(18)19-6-9/h1-6,12H,7-8H2,(H2,18,19).
What are the key properties of (6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone?
(6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone has a molecular weight of 382.65 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 166330434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).