2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine

C16H14ClN3O — CID 79274371

IUPAC2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cccnc2n1C1CCOc2ccccc21
InChIInChI=1S/C16H14ClN3O/c17-10-15-19-12-5-3-8-18-16(12)20(15)13-7-9-21-14-6-2-1-4-11(13)14/h1-6,8,13H,7,9-10H2
InChIKeyUPFPAXUVENJKTB-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.54
Rot. Bonds2

About 2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine

2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine (PubChem CID 79274371) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine
PubChem CID79274371
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cccnc2n1C1CCOc2ccccc21
InChIInChI=1S/C16H14ClN3O/c17-10-15-19-12-5-3-8-18-16(12)20(15)13-7-9-21-14-6-2-1-4-11(13)14/h1-6,8,13H,7,9-10H2
InChIKeyUPFPAXUVENJKTB-UHFFFAOYSA-N
XLogP3.54
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79273247
2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294728
4-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1-oxide
CID 113480268
3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81140893
6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79279142
7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine
CID 62366094
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 97166664
3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294395
2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79274865
3-(3,4-dihydro-2H-chromen-4-yl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79277586
2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 79294540

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine (CID 79274371) is 2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine is ClCc1nc2cccnc2n1C1CCOc2ccccc21.
What is the InChIKey of 2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine?
The InChIKey is UPFPAXUVENJKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-10-15-19-12-5-3-8-18-16(12)20(15)13-7-9-21-14-6-2-1-4-11(13)14/h1-6,8,13H,7,9-10H2.
What are the key properties of 2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine has a molecular weight of 299.76 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79274371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).