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

C8H10IN3 — CID 130691652

IUPAC3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-amine
SMILESC=C[C@H](N)c1cc(I)cnc1N
InChIInChI=1S/C8H10IN3/c1-2-7(10)6-3-5(9)4-12-8(6)11/h2-4,7H,1,10H2,(H2,11,12)/t7-/m0/s1
InChIKeyFRJXBWRUGULYSX-ZETCQYMHSA-N
MW275.09 g/mol
LogP1.45
Rot. Bonds2

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

3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-amine (PubChem CID 130691652) 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-2-amine.

Molecular Properties

Compound Name3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-amine
PubChem CID130691652
Molecular FormulaC8H10IN3
Molecular Weight275.09 g/mol
Exact Mass274.99
IUPAC Name3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-amine
SMILESC=C[C@H](N)c1cc(I)cnc1N
InChIInChI=1S/C8H10IN3/c1-2-7(10)6-3-5(9)4-12-8(6)11/h2-4,7H,1,10H2,(H2,11,12)/t7-/m0/s1
InChIKeyFRJXBWRUGULYSX-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

3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine
CID 130955912
3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine
CID 55291745
3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine
CID 130624544
3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-4-amine
CID 130691902
(1R)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride
CID 171216180
(1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride
CID 171235814
5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine
CID 55274368
(1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine
CID 131140438
6-amino-5-(1-aminoprop-2-enyl)-1H-pyrimidin-2-one
CID 66637222
3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine
CID 74788017
(1S)-1-(2-bromo-3-iodo-4-pyridinyl)prop-2-en-1-amine
CID 130786136
5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile
CID 130834771

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-amine?
The IUPAC name of 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-amine (CID 130691652) is 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-amine.
What is the SMILES notation for 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-amine?
The canonical SMILES for 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-amine is C=C[C@H](N)c1cc(I)cnc1N.
What is the InChIKey of 3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-amine?
The InChIKey is FRJXBWRUGULYSX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10IN3/c1-2-7(10)6-3-5(9)4-12-8(6)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-2-amine?
3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-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-2-amine is sourced from PubChem (CID 130691652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).