5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine

C12H14ClN3O — CID 171838815

IUPAC5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine
SMILESCc1nc2ccc(Cl)nc2n1C[C@H]1CCOC1
InChIInChI=1S/C12H14ClN3O/c1-8-14-10-2-3-11(13)15-12(10)16(8)6-9-4-5-17-7-9/h2-3,9H,4-7H2,1H3/t9-/m1/s1
InChIKeyXVQQZNQRAKWHEC-SECBINFHSA-N
MW251.72 g/mol
LogP2.43
Rot. Bonds2

About 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine

5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 171838815) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID171838815
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine
SMILESCc1nc2ccc(Cl)nc2n1C[C@H]1CCOC1
InChIInChI=1S/C12H14ClN3O/c1-8-14-10-2-3-11(13)15-12(10)16(8)6-9-4-5-17-7-9/h2-3,9H,4-7H2,1H3/t9-/m1/s1
InChIKeyXVQQZNQRAKWHEC-SECBINFHSA-N
XLogP2.43
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(oxolan-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791400
2-(chloromethyl)-5-methyl-3-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 81136393
2-(1-chloroethyl)-5-methyl-3-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 81136315
3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164786
6-chloro-2-(chloromethyl)-1-(oxolan-3-ylmethyl)benzimidazole
CID 113316358
2-(1-methylpyrrolidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160142
2-(chloromethyl)-3-(oxolan-3-ylmethyl)quinazolin-4-one
CID 62823318
2-(1-chloroethyl)-7-methyl-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79293889
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-(oxolan-3-yl)propanamide
CID 90447863
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161818
6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole
CID 134083712
6,7-difluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 55119012

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine (CID 171838815) is 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine is Cc1nc2ccc(Cl)nc2n1C[C@H]1CCOC1.
What is the InChIKey of 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is XVQQZNQRAKWHEC-SECBINFHSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8-14-10-2-3-11(13)15-12(10)16(8)6-9-4-5-17-7-9/h2-3,9H,4-7H2,1H3/t9-/m1/s1.
What are the key properties of 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine?
5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 251.72 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 171838815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).