7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine

C8H7BrClN3 — CID 127016604

IUPAC7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine
SMILESClCCc1nc2c(Br)cncc2[nH]1
InChIInChI=1S/C8H7BrClN3/c9-5-3-11-4-6-8(5)13-7(12-6)1-2-10/h3-4H,1-2H2,(H,12,13)
InChIKeyMKCFUXWDSUEFPO-UHFFFAOYSA-N
MW260.52 g/mol
LogP2.50
Rot. Bonds2

About 7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine

7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 127016604) has the molecular formula C8H7BrClN3 and a molecular weight of 260.52 g/mol. Its IUPAC name is 7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine
PubChem CID127016604
Molecular FormulaC8H7BrClN3
Molecular Weight260.52 g/mol
Exact Mass258.95
IUPAC Name7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine
SMILESClCCc1nc2c(Br)cncc2[nH]1
InChIInChI=1S/C8H7BrClN3/c9-5-3-11-4-6-8(5)13-7(12-6)1-2-10/h3-4H,1-2H2,(H,12,13)
InChIKeyMKCFUXWDSUEFPO-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol
CID 131099118
4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
CID 11174733
methyl 7-bromo-3H-imidazo[4,5-c]pyridine-2-carboxylate
CID 24903738
2-(4-bromo-1H-benzimidazol-2-yl)ethanol
CID 83866918
5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
CID 82004888
4-bromo-2-[(4-bromophenyl)methyl]-6-chloro-1H-benzimidazole
CID 91686358
5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole
CID 79631505
2-(4-chlorobutyl)-4,5-difluoro-1H-benzimidazole
CID 112556642
3-bromo-4-(3-chloropropylsulfanyl)pyridine
CID 104777345
2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile
CID 166058695
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
2-(7H-purin-8-yl)ethanamine
CID 83671812

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine (CID 127016604) is 7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine is ClCCc1nc2c(Br)cncc2[nH]1.
What is the InChIKey of 7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is MKCFUXWDSUEFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3/c9-5-3-11-4-6-8(5)13-7(12-6)1-2-10/h3-4H,1-2H2,(H,12,13).
What are the key properties of 7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine?
7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 260.52 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-chloroethyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 127016604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).