6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride

C26H26Cl2N6O3 — CID 158155319

IUPAC6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride
SMILESCCOC(=O)c1ccc2cncn2c1.Cl.ClCc1ccc2cncn2c1.OCc1ccc2cncn2c1
InChIInChI=1S/C10H10N2O2.C8H7ClN2.C8H8N2O.ClH/c1-2-14-10(13)8-3-4-9-5-11-7-12(9)6-8;9-3-7-1-2-8-4-10-6-11(8)5-7;11-5-7-1-2-8-3-9-6-10(8)4-7;/h3-7H,2H2,1H3;1-2,4-6H,3H2;1-4,6,11H,5H2;1H
InChIKeyUHEDGKXPZGWQHI-UHFFFAOYSA-N
MW541.44 g/mol
LogP4.83
Rot. Bonds4

About 6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride

6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride (PubChem CID 158155319) has the molecular formula C26H26Cl2N6O3 and a molecular weight of 541.44 g/mol. Its IUPAC name is 6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride.

Molecular Properties

Compound Name6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride
PubChem CID158155319
Molecular FormulaC26H26Cl2N6O3
Molecular Weight541.44 g/mol
Exact Mass540.14
IUPAC Name6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride
SMILESCCOC(=O)c1ccc2cncn2c1.Cl.ClCc1ccc2cncn2c1.OCc1ccc2cncn2c1
InChIInChI=1S/C10H10N2O2.C8H7ClN2.C8H8N2O.ClH/c1-2-14-10(13)8-3-4-9-5-11-7-12(9)6-8;9-3-7-1-2-8-4-10-6-11(8)5-7;11-5-7-1-2-8-3-9-6-10(8)4-7;/h3-7H,2H2,1H3;1-2,4-6H,3H2;1-4,6,11H,5H2;1H
InChIKeyUHEDGKXPZGWQHI-UHFFFAOYSA-N
XLogP4.83
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-[4-[(3E)-6-chloro-6-fluoro-4-(1-methylbenzimidazol-2-yl)hexa-1,3-dien-2-yl]piperazin-1-yl]pyridine-3-carboxylate
CID 138515774
Methyl 3-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylate;oxolane;[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methanol
CID 157226890
2-Amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;azane;2-chloroacetaldehyde;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;hydrochloride
CID 157351332
Methane;methyl 3-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylate;oxolane;[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methanol
CID 158845083
Ethyl imidazo[1,5-a]pyridine-6-carboxylate
CID 70700985
1-Chloropentane;17-(dimethylamino)-1-aza-16-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxylic acid;perchlorate
CID 88264173
2-[6-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-3-pyridinyl]-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine-6-carboxylic acid
CID 137550318
Ethyl 6-[4-[5-chloro-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxylate
CID 142549174
ethane;imidazo[1,5-a]pyridine-6-carbaldehyde;imidazo[1,5-a]pyridine-6-carboxylic acid;methanol;N-methoxy-N-methylimidazo[1,5-a]pyridine-6-carboxamide;oxolane;hydrochloride
CID 157188994
Ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid
CID 157472670
8-(Chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridin-8-ylmethanol
CID 157517426
Imidazo[1,5-a]pyridine-8-carbaldehyde;imidazo[1,5-a]pyridin-8-ylmethanol
CID 157759103

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride?
The IUPAC name of 6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride (CID 158155319) is 6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride.
What is the SMILES notation for 6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride?
The canonical SMILES for 6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride is CCOC(=O)c1ccc2cncn2c1.Cl.ClCc1ccc2cncn2c1.OCc1ccc2cncn2c1.
What is the InChIKey of 6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride?
The InChIKey is UHEDGKXPZGWQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C8H7ClN2.C8H8N2O.ClH/c1-2-14-10(13)8-3-4-9-5-11-7-12(9)6-8;9-3-7-1-2-8-4-10-6-11(8)5-7;11-5-7-1-2-8-3-9-6-10(8)4-7;/h3-7H,2H2,1H3;1-2,4-6H,3H2;1-4,6,11H,5H2;1H.
What are the key properties of 6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride?
6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride has a molecular weight of 541.44 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)imidazo[1,5-a]pyridine;ethyl imidazo[1,5-a]pyridine-6-carboxylate;imidazo[1,5-a]pyridin-6-ylmethanol;hydrochloride is sourced from PubChem (CID 158155319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).