6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine

C14H11BrClN3 — CID 23026078

IUPAC6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cccc(CCc2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C14H11BrClN3/c15-10-7-12-14(17-8-10)19-13(18-12)5-4-9-2-1-3-11(16)6-9/h1-3,6-8H,4-5H2,(H,17,18,19)
InChIKeyXSVPOGDUAIZEFF-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.16
Rot. Bonds3

About 6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 23026078) has the molecular formula C14H11BrClN3 and a molecular weight of 336.62 g/mol. Its IUPAC name is 6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID23026078
Molecular FormulaC14H11BrClN3
Molecular Weight336.62 g/mol
Exact Mass334.98
IUPAC Name6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1cccc(CCc2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C14H11BrClN3/c15-10-7-12-14(17-8-10)19-13(18-12)5-4-9-2-1-3-11(16)6-9/h1-3,6-8H,4-5H2,(H,17,18,19)
InChIKeyXSVPOGDUAIZEFF-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine
CID 82142267
6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine
CID 65426544
2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-ethylethanamine
CID 62328822
N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-phenylacetamide
CID 563483
2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795297
6-bromo-2-(2-cyclohexylethyl)-1H-imidazo[4,5-b]pyridine
CID 56839810
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol
CID 10074205
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802
6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 56793487
6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine
CID 55260714
6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
CID 23025563
2-[2-[2-(3-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53345760

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine (CID 23026078) is 6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine is Clc1cccc(CCc2nc3ncc(Br)cc3[nH]2)c1.
What is the InChIKey of 6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is XSVPOGDUAIZEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3/c15-10-7-12-14(17-8-10)19-13(18-12)5-4-9-2-1-3-11(16)6-9/h1-3,6-8H,4-5H2,(H,17,18,19).
What are the key properties of 6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 336.62 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[2-(3-chlorophenyl)ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23026078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).