4-iodo-1,8-naphthyridin-3-amine

C8H6IN3 — CID 169226479

IUPAC4-iodo-1,8-naphthyridin-3-amine
SMILESNc1cnc2ncccc2c1I
InChIInChI=1S/C8H6IN3/c9-7-5-2-1-3-11-8(5)12-4-6(7)10/h1-4H,10H2
InChIKeyQCBLJADQLVKHCJ-UHFFFAOYSA-N
MW271.06 g/mol
LogP1.82
Rot. Bonds

About 4-iodo-1,8-naphthyridin-3-amine

4-iodo-1,8-naphthyridin-3-amine (PubChem CID 169226479) has the molecular formula C8H6IN3 and a molecular weight of 271.06 g/mol. Its IUPAC name is 4-iodo-1,8-naphthyridin-3-amine.

Molecular Properties

Compound Name4-iodo-1,8-naphthyridin-3-amine
PubChem CID169226479
Molecular FormulaC8H6IN3
Molecular Weight271.06 g/mol
Exact Mass270.96
IUPAC Name4-iodo-1,8-naphthyridin-3-amine
SMILESNc1cnc2ncccc2c1I
InChIInChI=1S/C8H6IN3/c9-7-5-2-1-3-11-8(5)12-4-6(7)10/h1-4H,10H2
InChIKeyQCBLJADQLVKHCJ-UHFFFAOYSA-N
XLogP1.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-diazonio-1,8-naphthyridin-4-olate
CID 71317860
2H-pyrazolo[3,4-b]pyridin-3-amine;hydrochloride
CID 155662054
ethane;4-methyl-1,8-naphthyridine
CID 143124676
1-oxidopyrido[3,2-c][1,8]naphthyridin-1-ium
CID 70387417
4-chloro-1,8-naphthyridine-3-carboxylic acid
CID 84676405
4-methyl-1,8-naphthyridin-2-amine
CID 23008692
[1]benzothiolo[2,3-b]pyridin-8-amine
CID 118860905
5-chloro-6-iodo-1,10-phenanthroline
CID 163214528
5-iodo-1,7-naphthyridine
CID 126647714
1,5-naphthyridine-3,4-diamine
CID 22172703
4-phenyl-1,8-naphthyridine
CID 21147452
(4-chloropyrido[2,3-d]pyrimidin-2-yl)methanamine
CID 117274576

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1,8-naphthyridin-3-amine?
The IUPAC name of 4-iodo-1,8-naphthyridin-3-amine (CID 169226479) is 4-iodo-1,8-naphthyridin-3-amine.
What is the SMILES notation for 4-iodo-1,8-naphthyridin-3-amine?
The canonical SMILES for 4-iodo-1,8-naphthyridin-3-amine is Nc1cnc2ncccc2c1I.
What is the InChIKey of 4-iodo-1,8-naphthyridin-3-amine?
The InChIKey is QCBLJADQLVKHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN3/c9-7-5-2-1-3-11-8(5)12-4-6(7)10/h1-4H,10H2.
What are the key properties of 4-iodo-1,8-naphthyridin-3-amine?
4-iodo-1,8-naphthyridin-3-amine has a molecular weight of 271.06 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1,8-naphthyridin-3-amine is sourced from PubChem (CID 169226479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).