5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine

C11H11FIN3O2 — CID 130223406

IUPAC5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine
SMILESCOCCOc1nn(-c2ccc(F)cn2)cc1I
InChIInChI=1S/C11H11FIN3O2/c1-17-4-5-18-11-9(13)7-16(15-11)10-3-2-8(12)6-14-10/h2-3,6-7H,4-5H2,1H3
InChIKeyYARLOQJVIKKKCD-UHFFFAOYSA-N
MW363.13 g/mol
LogP2.04
Rot. Bonds5

About 5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine

5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine (PubChem CID 130223406) has the molecular formula C11H11FIN3O2 and a molecular weight of 363.13 g/mol. Its IUPAC name is 5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine
PubChem CID130223406
Molecular FormulaC11H11FIN3O2
Molecular Weight363.13 g/mol
Exact Mass362.99
IUPAC Name5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine
SMILESCOCCOc1nn(-c2ccc(F)cn2)cc1I
InChIInChI=1S/C11H11FIN3O2/c1-17-4-5-18-11-9(13)7-16(15-11)10-3-2-8(12)6-14-10/h2-3,6-7H,4-5H2,1H3
InChIKeyYARLOQJVIKKKCD-UHFFFAOYSA-N
XLogP2.04
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[5-Methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
CID 58840937
2-[3-(Difluoromethoxy)-5-methylpyrazol-1-yl]pyridine
CID 58840938
4-{[1-(6-fluoropyridin-2-yl)-1H-pyrazol-5-yl]oxy}-5-propylpyrimidine
CID 59646829
4-{[1-(6-fluoropyridin-2-yl)-1H-pyrazol-5-yl]oxy}-6-iodo-5-propylpyrimidine
CID 59646867
2-{3-ethoxy-1-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl}ethanol
CID 69643872
3-[3-ethoxy-1-{5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl}-1-propanol
CID 69644068
3-{3-ethoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl}-1-propanol
CID 69644690
(3-ethoxy-1-[5-(trifluoromethyl)-2-pyridyl]-1H-pyrazol-4-yl}-1-propanol
CID 86606343
2-[5-[(3,3-Difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725543
3-Chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
CID 90941373
2-[5-[(3-Fluorophenyl)methoxy]pyrazol-1-yl]pyridine
CID 118126986
2-[5-[(4-Fluorophenyl)methoxy]pyrazol-1-yl]pyridine
CID 118303034

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine?
The IUPAC name of 5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine (CID 130223406) is 5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine?
The canonical SMILES for 5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine is COCCOc1nn(-c2ccc(F)cn2)cc1I.
What is the InChIKey of 5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine?
The InChIKey is YARLOQJVIKKKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FIN3O2/c1-17-4-5-18-11-9(13)7-16(15-11)10-3-2-8(12)6-14-10/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine?
5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine has a molecular weight of 363.13 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-iodo-3-(2-methoxyethoxy)pyrazol-1-yl]pyridine is sourced from PubChem (CID 130223406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).