[3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol

C14H11F2N3O2 — CID 170616530

IUPAC[3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol
SMILESCOc1cc2ncc(-c3cc(F)nc(F)c3)n2cc1CO
InChIInChI=1S/C14H11F2N3O2/c1-21-11-4-14-17-5-10(19(14)6-9(11)7-20)8-2-12(15)18-13(16)3-8/h2-6,20H,7H2,1H3
InChIKeyKIUCYVZBRPUQNW-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.18
Rot. Bonds3

About [3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol

[3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol (PubChem CID 170616530) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is [3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol
PubChem CID170616530
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC Name[3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol
SMILESCOc1cc2ncc(-c3cc(F)nc(F)c3)n2cc1CO
InChIInChI=1S/C14H11F2N3O2/c1-21-11-4-14-17-5-10(19(14)6-9(11)7-20)8-2-12(15)18-13(16)3-8/h2-6,20H,7H2,1H3
InChIKeyKIUCYVZBRPUQNW-UHFFFAOYSA-N
XLogP2.18
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol?
The IUPAC name of [3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol (CID 170616530) is [3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol.
What is the SMILES notation for [3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol?
The canonical SMILES for [3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol is COc1cc2ncc(-c3cc(F)nc(F)c3)n2cc1CO.
What is the InChIKey of [3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol?
The InChIKey is KIUCYVZBRPUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c1-21-11-4-14-17-5-10(19(14)6-9(11)7-20)8-2-12(15)18-13(16)3-8/h2-6,20H,7H2,1H3.
What are the key properties of [3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol?
[3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol has a molecular weight of 291.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-difluoro-4-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]methanol is sourced from PubChem (CID 170616530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).