6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one

C11H14ClN3O2 — CID 25093871

IUPAC6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC[C@H](CCO)n1c(=O)[nH]c2ncc(Cl)cc21
InChIInChI=1S/C11H14ClN3O2/c1-2-8(3-4-16)15-9-5-7(12)6-13-10(9)14-11(15)17/h5-6,8,16H,2-4H2,1H3,(H,13,14,17)/t8-/m1/s1
InChIKeyUBZAWYVQYJXNNF-MRVPVSSYSA-N
MW255.70 g/mol
LogP1.71
Rot. Bonds4

About 6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 25093871) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID25093871
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC[C@H](CCO)n1c(=O)[nH]c2ncc(Cl)cc21
InChIInChI=1S/C11H14ClN3O2/c1-2-8(3-4-16)15-9-5-7(12)6-13-10(9)14-11(15)17/h5-6,8,16H,2-4H2,1H3,(H,13,14,17)/t8-/m1/s1
InChIKeyUBZAWYVQYJXNNF-MRVPVSSYSA-N
XLogP1.71
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 25093871) is 6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one is CC[C@H](CCO)n1c(=O)[nH]c2ncc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is UBZAWYVQYJXNNF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-2-8(3-4-16)15-9-5-7(12)6-13-10(9)14-11(15)17/h5-6,8,16H,2-4H2,1H3,(H,13,14,17)/t8-/m1/s1.
What are the key properties of 6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 255.70 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25093871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).