4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine

C14H10IN3 — CID 22037377

IUPAC4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
SMILESIc1ccc(-c2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C14H10IN3/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)
InChIKeyPJXPMRLYAHRLTI-UHFFFAOYSA-N
MW347.16 g/mol
LogP3.74
Rot. Bonds2

About 4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine

4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine (PubChem CID 22037377) has the molecular formula C14H10IN3 and a molecular weight of 347.16 g/mol. Its IUPAC name is 4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
PubChem CID22037377
Molecular FormulaC14H10IN3
Molecular Weight347.16 g/mol
Exact Mass346.99
IUPAC Name4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
SMILESIc1ccc(-c2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C14H10IN3/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)
InChIKeyPJXPMRLYAHRLTI-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
CID 160851614
ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 143047131
4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
CID 19355817
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyridine
CID 3321413
4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine
CID 126428744
5-(4-pyridin-4-yl-1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine
CID 3694575
2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
CID 54219952
2-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenol
CID 135677555
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037203
4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490711
4-[5-(5-bromothiophen-2-yl)-1H-pyrazol-4-yl]pyridine
CID 67260424
3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490570

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine (CID 22037377) is 4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine is Ic1ccc(-c2[nH]ncc2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is PJXPMRLYAHRLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18).
What are the key properties of 4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine?
4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 347.16 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 22037377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).