5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine

C10H9Cl2N3 — CID 118288394

IUPAC5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
SMILESClc1cc2ncn(CC3CC3)c2nc1Cl
InChIInChI=1S/C10H9Cl2N3/c11-7-3-8-10(14-9(7)12)15(5-13-8)4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKeyNCZFPRQKMSBUCR-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.15
Rot. Bonds2

About 5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine

5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine (PubChem CID 118288394) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
PubChem CID118288394
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
SMILESClc1cc2ncn(CC3CC3)c2nc1Cl
InChIInChI=1S/C10H9Cl2N3/c11-7-3-8-10(14-9(7)12)15(5-13-8)4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKeyNCZFPRQKMSBUCR-UHFFFAOYSA-N
XLogP3.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one
CID 114582159
trans-(1R,2R)-2-[[6-[(5,6-dichloroimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89498450
1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole
CID 115761322
7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 118278526
5,6-di(piperidin-4-yl)-1-(piperidin-4-ylmethyl)benzimidazole
CID 174768083
2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine
CID 124560527
2,6-dichloro-7-[[4-(trifluoromethyl)cyclohexyl]methyl]purine
CID 90325410
1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane
CID 145068592
5-[[3-(cyclopropylmethyl)benzimidazol-5-yl]methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136500404
9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
CID 68898401
1-(cyclopropylmethyl)-5-methylimidazol-4-amine
CID 118309548
5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
CID 114582793

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine (CID 118288394) is 5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine is Clc1cc2ncn(CC3CC3)c2nc1Cl.
What is the InChIKey of 5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is NCZFPRQKMSBUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-7-3-8-10(14-9(7)12)15(5-13-8)4-6-1-2-6/h3,5-6H,1-2,4H2.
What are the key properties of 5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine?
5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 242.11 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 118288394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).