3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine

C8H10IN3 — CID 130691902

IUPAC3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine
SMILESC=C[C@H](N)c1cncc(I)c1N
InChIInChI=1S/C8H10IN3/c1-2-7(10)5-3-12-4-6(9)8(5)11/h2-4,7H,1,10H2,(H2,11,12)/t7-/m0/s1
InChIKeyGIPBVTUWDCWPOG-ZETCQYMHSA-N
MW275.09 g/mol
LogP1.45
Rot. Bonds2

About 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine

3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine (PubChem CID 130691902) has the molecular formula C8H10IN3 and a molecular weight of 275.09 g/mol. Its IUPAC name is 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine.

Molecular Properties

Compound Name3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine
PubChem CID130691902
Molecular FormulaC8H10IN3
Molecular Weight275.09 g/mol
Exact Mass274.99
IUPAC Name3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine
SMILESC=C[C@H](N)c1cncc(I)c1N
InChIInChI=1S/C8H10IN3/c1-2-7(10)5-3-12-4-6(9)8(5)11/h2-4,7H,1,10H2,(H2,11,12)/t7-/m0/s1
InChIKeyGIPBVTUWDCWPOG-ZETCQYMHSA-N
XLogP1.45
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-(4-amino-5-iodo-3-pyridinyl)ethanol
CID 130737806
3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-amine
CID 130691652
2-(1-aminoprop-2-enyl)-4,6-dimethylaniline
CID 55282340
4-amino-5-iodopyridin-3-ol
CID 133055887
1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine
CID 55295239
2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol
CID 130635018
(1S)-1-pyrimidin-5-ylprop-2-en-1-amine
CID 130737229
3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine
CID 130955912
6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one
CID 66637222
3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine
CID 55291745
(1S)-1-(2-bromo-3-iodo-4-pyridinyl)prop-2-en-1-amine
CID 130786136
5-[(1R)-1-aminoprop-2-enyl]pyridin-3-ol
CID 55275233

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine?
The IUPAC name of 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine (CID 130691902) is 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine.
What is the SMILES notation for 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine?
The canonical SMILES for 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine is C=C[C@H](N)c1cncc(I)c1N.
What is the InChIKey of 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine?
The InChIKey is GIPBVTUWDCWPOG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10IN3/c1-2-7(10)5-3-12-4-6(9)8(5)11/h2-4,7H,1,10H2,(H2,11,12)/t7-/m0/s1.
What are the key properties of 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine?
3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine has a molecular weight of 275.09 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine is sourced from PubChem (CID 130691902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).