1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine

C11H5BrClNO — CID 166801889

IUPAC1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine
SMILESClc1cccc2c1oc1ccnc(Br)c12
InChIInChI=1S/C11H5BrClNO/c12-11-9-6-2-1-3-7(13)10(6)15-8(9)4-5-14-11/h1-5H
InChIKeyMRAQQRWBCAJACR-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.40
Rot. Bonds

About 1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine

1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine (PubChem CID 166801889) has the molecular formula C11H5BrClNO and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine
PubChem CID166801889
Molecular FormulaC11H5BrClNO
Molecular Weight282.52 g/mol
Exact Mass280.92
IUPAC Name1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine
SMILESClc1cccc2c1oc1ccnc(Br)c12
InChIInChI=1S/C11H5BrClNO/c12-11-9-6-2-1-3-7(13)10(6)15-8(9)4-5-14-11/h1-5H
InChIKeyMRAQQRWBCAJACR-UHFFFAOYSA-N
XLogP4.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine 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

16-chloro-9,18,21-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 146441792
1-bromo-5-chloro-2-methylxanthen-9-one
CID 174940111
7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167123613
6-chloro-1,3-diphenyldibenzofuran
CID 164884878
7-chloro-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167123681
2-(6-chlorodibenzofuran-1-yl)-4-phenyl-6-triphenylen-1-yl-1,3,5-triazine
CID 147180477
6-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 176844288
4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine
CID 84697180
8-chloro-3-phenylnaphtho[2,1-b][1]benzofuran
CID 155335388
(4-chloroxanthen-9-ylidene)hydrazine
CID 86246354
2-bromo-4-chloro-3-iodopyridine
CID 59332995
2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978348

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine (CID 166801889) is 1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine is Clc1cccc2c1oc1ccnc(Br)c12.
What is the InChIKey of 1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine?
The InChIKey is MRAQQRWBCAJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClNO/c12-11-9-6-2-1-3-7(13)10(6)15-8(9)4-5-14-11/h1-5H.
What are the key properties of 1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine?
1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine has a molecular weight of 282.52 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-chloro-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 166801889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).