methyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate

C14H10FN3O2 — CID 25095911

IUPACmethyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc3ncc(F)cc3[nH]2)cc1
InChIInChI=1S/C14H10FN3O2/c1-20-14(19)9-4-2-8(3-5-9)12-17-11-6-10(15)7-16-13(11)18-12/h2-7H,1H3,(H,16,17,18)
InChIKeyHAIMSHYWNMSNQI-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.55
Rot. Bonds2

About methyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate

methyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate (PubChem CID 25095911) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is methyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate
PubChem CID25095911
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Namemethyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc3ncc(F)cc3[nH]2)cc1
InChIInChI=1S/C14H10FN3O2/c1-20-14(19)9-4-2-8(3-5-9)12-17-11-6-10(15)7-16-13(11)18-12/h2-7H,1H3,(H,16,17,18)
InChIKeyHAIMSHYWNMSNQI-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate?
The IUPAC name of methyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate (CID 25095911) is methyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate.
What is the SMILES notation for methyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate?
The canonical SMILES for methyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate is COC(=O)c1ccc(-c2nc3ncc(F)cc3[nH]2)cc1.
What is the InChIKey of methyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate?
The InChIKey is HAIMSHYWNMSNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-20-14(19)9-4-2-8(3-5-9)12-17-11-6-10(15)7-16-13(11)18-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of methyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate?
methyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate has a molecular weight of 271.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)benzoate is sourced from PubChem (CID 25095911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).