3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine

C10H5BrCl2N2 — CID 46220755

IUPAC3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine
SMILESClc1cc(-c2ccnc(Cl)c2Br)ccn1
InChIInChI=1S/C10H5BrCl2N2/c11-9-7(2-4-15-10(9)13)6-1-3-14-8(12)5-6/h1-5H
InChIKeyIWPVVLWDULYDNW-UHFFFAOYSA-N
MW303.97 g/mol
LogP4.21
Rot. Bonds1

About 3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine

3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine (PubChem CID 46220755) has the molecular formula C10H5BrCl2N2 and a molecular weight of 303.97 g/mol. Its IUPAC name is 3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine
PubChem CID46220755
Molecular FormulaC10H5BrCl2N2
Molecular Weight303.97 g/mol
Exact Mass301.90
IUPAC Name3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine
SMILESClc1cc(-c2ccnc(Cl)c2Br)ccn1
InChIInChI=1S/C10H5BrCl2N2/c11-9-7(2-4-15-10(9)13)6-1-3-14-8(12)5-6/h1-5H
InChIKeyIWPVVLWDULYDNW-UHFFFAOYSA-N
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.97
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2'-Chloro-N-methyl-1,2,5,6-tetrahydro-3,4'-bipyridine hcl
CID 45262543
4-Bromo-1-chloroisoquinoline
CID 459766
7-Bromo-1-Chloroisoquinoline
CID 6502024
4,4'-Bipyridinium dichloride
CID 119752
2-Chloro-5-(piperidin-1-ylmethyl)pyridine
CID 1473525
5-Bromo-2-chloro-3-methylpyridine
CID 285434
3-Bromo-2-chloropyridine
CID 693324
5-Bromo-2-chloropyridine
CID 2734414
5-Bromo-2-chloro-4-methylpyridine
CID 2734427
3-Bromo-4-phenylpyridine
CID 2762928
4-Bromo-2-chloropyridine
CID 3847770
5-(Bromomethyl)-2-chloropyridine
CID 6424661

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine?
The IUPAC name of 3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine (CID 46220755) is 3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine.
What is the SMILES notation for 3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine?
The canonical SMILES for 3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine is Clc1cc(-c2ccnc(Cl)c2Br)ccn1.
What is the InChIKey of 3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine?
The InChIKey is IWPVVLWDULYDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2N2/c11-9-7(2-4-15-10(9)13)6-1-3-14-8(12)5-6/h1-5H.
What are the key properties of 3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine?
3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine has a molecular weight of 303.97 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-4-(2-chloro-4-pyridinyl)pyridine is sourced from PubChem (CID 46220755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).