(3-methylimidazo[4,5-b]pyridin-6-yl) benzoate

C14H11N3O2 — CID 53322367

IUPAC(3-methylimidazo[4,5-b]pyridin-6-yl) benzoate
SMILESCn1cnc2cc(OC(=O)c3ccccc3)cnc21
InChIInChI=1S/C14H11N3O2/c1-17-9-16-12-7-11(8-15-13(12)17)19-14(18)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyKAEOHXDNBGUDHW-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.19
Rot. Bonds2

About (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate

(3-methylimidazo[4,5-b]pyridin-6-yl) benzoate (PubChem CID 53322367) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate.

Molecular Properties

Compound Name(3-methylimidazo[4,5-b]pyridin-6-yl) benzoate
PubChem CID53322367
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name(3-methylimidazo[4,5-b]pyridin-6-yl) benzoate
SMILESCn1cnc2cc(OC(=O)c3ccccc3)cnc21
InChIInChI=1S/C14H11N3O2/c1-17-9-16-12-7-11(8-15-13(12)17)19-14(18)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyKAEOHXDNBGUDHW-UHFFFAOYSA-N
XLogP2.19
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate?
The IUPAC name of (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate (CID 53322367) is (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate.
What is the SMILES notation for (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate?
The canonical SMILES for (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate is Cn1cnc2cc(OC(=O)c3ccccc3)cnc21.
What is the InChIKey of (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate?
The InChIKey is KAEOHXDNBGUDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-17-9-16-12-7-11(8-15-13(12)17)19-14(18)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate?
(3-methylimidazo[4,5-b]pyridin-6-yl) benzoate has a molecular weight of 253.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazo[4,5-b]pyridin-6-yl) benzoate is sourced from PubChem (CID 53322367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).