8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline

C14H8FIN2 — CID 175503132

IUPAC8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline
SMILESFc1c(-c2cccnc2)ccc2c(I)cncc12
InChIInChI=1S/C14H8FIN2/c15-14-10(9-2-1-5-17-6-9)3-4-11-12(14)7-18-8-13(11)16/h1-8H
InChIKeyKVHRVKMEIWIWFD-UHFFFAOYSA-N
MW350.13 g/mol
LogP4.04
Rot. Bonds1

About 8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline

8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline (PubChem CID 175503132) has the molecular formula C14H8FIN2 and a molecular weight of 350.13 g/mol. Its IUPAC name is 8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline.

Molecular Properties

Compound Name8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline
PubChem CID175503132
Molecular FormulaC14H8FIN2
Molecular Weight350.13 g/mol
Exact Mass349.97
IUPAC Name8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline
SMILESFc1c(-c2cccnc2)ccc2c(I)cncc12
InChIInChI=1S/C14H8FIN2/c15-14-10(9-2-1-5-17-6-9)3-4-11-12(14)7-18-8-13(11)16/h1-8H
InChIKeyKVHRVKMEIWIWFD-UHFFFAOYSA-N
XLogP4.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.13
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluoro-4-iodo-5-pyridin-3-ylphenyl)pyridine
CID 46316515
2,6-difluoro-3-pyridin-3-ylbenzonitrile
CID 58731401
3-(5-fluoro-2-iodo-3-pyridin-3-ylphenyl)pyridine
CID 46316519
3-(2-fluoro-3-pyridin-4-ylphenyl)pyridine
CID 46316510
3-(3-bromo-2-fluorophenyl)pyridine
CID 67900310
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
4-fluoro-2,6-dipyridin-3-ylaniline
CID 46316799
2-iodo-3-pyridin-3-ylpyridine
CID 134338193
tetrakis(1,2,4,5-tetrafluoro-3,6-diiodobenzene);bis(3-[4-[1,2,2-tris(4-pyridin-3-ylphenyl)ethenyl]phenyl]pyridine)
CID 139196956
3-fluoro-4-pyridin-3-ylphenol
CID 46315770
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
3-pyren-1-ylpyridine
CID 58924967

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline?
The IUPAC name of 8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline (CID 175503132) is 8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline.
What is the SMILES notation for 8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline?
The canonical SMILES for 8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline is Fc1c(-c2cccnc2)ccc2c(I)cncc12.
What is the InChIKey of 8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline?
The InChIKey is KVHRVKMEIWIWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FIN2/c15-14-10(9-2-1-5-17-6-9)3-4-11-12(14)7-18-8-13(11)16/h1-8H.
What are the key properties of 8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline?
8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline has a molecular weight of 350.13 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-iodo-7-pyridin-3-ylisoquinoline is sourced from PubChem (CID 175503132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).