2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine

C14H11ClFN3 — CID 71648916

IUPAC2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
SMILESFc1cccc(Cn2c(CCl)nc3cccnc32)c1
InChIInChI=1S/C14H11ClFN3/c15-8-13-18-12-5-2-6-17-14(12)19(13)9-10-3-1-4-11(16)7-10/h1-7H,8-9H2
InChIKeyIROWOIHLBYRJBW-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.36
Rot. Bonds3

About 2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine

2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 71648916) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
PubChem CID71648916
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
SMILESFc1cccc(Cn2c(CCl)nc3cccnc32)c1
InChIInChI=1S/C14H11ClFN3/c15-8-13-18-12-5-2-6-17-14(12)19(13)9-10-3-1-4-11(16)7-10/h1-7H,8-9H2
InChIKeyIROWOIHLBYRJBW-UHFFFAOYSA-N
XLogP3.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289581
3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164454
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71646538
3-[(3-fluorophenyl)methyl]-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164729
2-(chloromethyl)-6,7-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 62532382
[3-[(3-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol
CID 71649911
3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165937
2-(chloromethyl)-6-fluoro-1-[(3-fluorophenyl)methyl]-5-iodobenzimidazole
CID 66100212
2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117164895
3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161994
[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
CID 53298848
3-[(3-fluorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridine
CID 20908726

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine (CID 71648916) is 2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine is Fc1cccc(Cn2c(CCl)nc3cccnc32)c1.
What is the InChIKey of 2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is IROWOIHLBYRJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c15-8-13-18-12-5-2-6-17-14(12)19(13)9-10-3-1-4-11(16)7-10/h1-7H,8-9H2.
What are the key properties of 2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 275.71 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 71648916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).