1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde

C10H13ClN2O — CID 83885946

IUPAC1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
SMILESCCc1nc(Cl)c2n1CCCC2C=O
InChIInChI=1S/C10H13ClN2O/c1-2-8-12-10(11)9-7(6-14)4-3-5-13(8)9/h6-7H,2-5H2,1H3
InChIKeyIUTTUEIKMAZOKG-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.18
Rot. Bonds2

About 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde

1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde (PubChem CID 83885946) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
PubChem CID83885946
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
SMILESCCc1nc(Cl)c2n1CCCC2C=O
InChIInChI=1S/C10H13ClN2O/c1-2-8-12-10(11)9-7(6-14)4-3-5-13(8)9/h6-7H,2-5H2,1H3
InChIKeyIUTTUEIKMAZOKG-UHFFFAOYSA-N
XLogP2.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249851
1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
CID 83827902
(3-ethyl-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanol
CID 112552392
methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249542
1-bromo-3-ethyl-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 83843433
1-(3-ethyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)-N-methylmethanamine
CID 83865196
2-(1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid
CID 83869734
1-chloro-3-ethyl-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247786
methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117250140
3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 83875146
3-ethyl-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonyl chloride
CID 112552253
1-chloro-8-[2-(3,5-difluoro-4-methylphenyl)ethyl]-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 66733915

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
The IUPAC name of 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde (CID 83885946) is 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
The canonical SMILES for 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde is CCc1nc(Cl)c2n1CCCC2C=O.
What is the InChIKey of 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
The InChIKey is IUTTUEIKMAZOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-2-8-12-10(11)9-7(6-14)4-3-5-13(8)9/h6-7H,2-5H2,1H3.
What are the key properties of 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde has a molecular weight of 212.68 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 83885946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).