3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine

C19H13ClIN3O — CID 143522406

IUPAC3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(OCc2ccccc2)c(-c2nnc3ccc(I)cn23)c1
InChIInChI=1S/C19H13ClIN3O/c20-14-6-8-17(25-12-13-4-2-1-3-5-13)16(10-14)19-23-22-18-9-7-15(21)11-24(18)19/h1-11H,12H2
InChIKeyGQRDKTINEMUAMT-UHFFFAOYSA-N
MW461.69 g/mol
LogP5.23
Rot. Bonds4

About 3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine

3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 143522406) has the molecular formula C19H13ClIN3O and a molecular weight of 461.69 g/mol. Its IUPAC name is 3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID143522406
Molecular FormulaC19H13ClIN3O
Molecular Weight461.69 g/mol
Exact Mass460.98
IUPAC Name3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(OCc2ccccc2)c(-c2nnc3ccc(I)cn23)c1
InChIInChI=1S/C19H13ClIN3O/c20-14-6-8-17(25-12-13-4-2-1-3-5-13)16(10-14)19-23-22-18-9-7-15(21)11-24(18)19/h1-11H,12H2
InChIKeyGQRDKTINEMUAMT-UHFFFAOYSA-N
XLogP5.23
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.69
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 39771078
2-(2-bromophenyl)-4-chloro-1-phenylmethoxybenzene
CID 69309413
2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 22687001
[2-[[3-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanol
CID 68903918
3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine
CID 70926048
2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine
CID 70971545
[2-[[3-(2-chloro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl]phenyl]methanamine
CID 68925406
2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551891
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275895
(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 8800006
4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one
CID 59840785

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine (CID 143522406) is 3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccc(OCc2ccccc2)c(-c2nnc3ccc(I)cn23)c1.
What is the InChIKey of 3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GQRDKTINEMUAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClIN3O/c20-14-6-8-17(25-12-13-4-2-1-3-5-13)16(10-14)19-23-22-18-9-7-15(21)11-24(18)19/h1-11H,12H2.
What are the key properties of 3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine?
3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 461.69 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-phenylmethoxyphenyl)-6-iodo-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 143522406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).