2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde

C8H10ClN3O — CID 112536334

IUPAC2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde
SMILESCn1c(Cl)nc2c1CN(C=O)CC2
InChIInChI=1S/C8H10ClN3O/c1-11-7-4-12(5-13)3-2-6(7)10-8(11)9/h5H,2-4H2,1H3
InChIKeyGWYIFXXUOJTAIT-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.59
Rot. Bonds1

About 2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde

2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde (PubChem CID 112536334) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde
PubChem CID112536334
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde
SMILESCn1c(Cl)nc2c1CN(C=O)CC2
InChIInChI=1S/C8H10ClN3O/c1-11-7-4-12(5-13)3-2-6(7)10-8(11)9/h5H,2-4H2,1H3
InChIKeyGWYIFXXUOJTAIT-UHFFFAOYSA-N
XLogP0.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.59
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

(2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(4-fluorophenyl)methanone
CID 112536266
(2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-pyridin-3-ylmethanone
CID 112536314
3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde
CID 12037662
2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carbaldehyde
CID 143612175
ethyl 2-(2-aminoethyl)-5-formyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 155366821
3-fluoro-7,8-dihydro-5H-1,6-naphthyridine-6-carbaldehyde
CID 169158407
3,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;ethane
CID 143160771
ethane;methanol;5-methyl-3,5,10,11,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(17),2(6),3,11-tetraene-15-carbaldehyde
CID 155731967
2-chloro-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136982066
2-amino-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-4-carbaldehyde
CID 83862997
1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde
CID 134537911
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone
CID 112536199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde?
The IUPAC name of 2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde (CID 112536334) is 2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde.
What is the SMILES notation for 2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde?
The canonical SMILES for 2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde is Cn1c(Cl)nc2c1CN(C=O)CC2.
What is the InChIKey of 2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde?
The InChIKey is GWYIFXXUOJTAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-11-7-4-12(5-13)3-2-6(7)10-8(11)9/h5H,2-4H2,1H3.
What are the key properties of 2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde?
2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde has a molecular weight of 199.64 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbaldehyde is sourced from PubChem (CID 112536334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).