N-(3-iodoprop-1-en-2-yl)pyridin-2-amine

C8H9IN2 — CID 155022725

IUPACN-(3-iodoprop-1-en-2-yl)pyridin-2-amine
SMILESC=C(CI)Nc1ccccn1
InChIInChI=1S/C8H9IN2/c1-7(6-9)11-8-4-2-3-5-10-8/h2-5H,1,6H2,(H,10,11)
InChIKeyBWDHSOOIEAXQIA-UHFFFAOYSA-N
MW260.08 g/mol
LogP2.44
Rot. Bonds3

About N-(3-iodoprop-1-en-2-yl)pyridin-2-amine

N-(3-iodoprop-1-en-2-yl)pyridin-2-amine (PubChem CID 155022725) has the molecular formula C8H9IN2 and a molecular weight of 260.08 g/mol. Its IUPAC name is N-(3-iodoprop-1-en-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-iodoprop-1-en-2-yl)pyridin-2-amine
PubChem CID155022725
Molecular FormulaC8H9IN2
Molecular Weight260.08 g/mol
Exact Mass259.98
IUPAC NameN-(3-iodoprop-1-en-2-yl)pyridin-2-amine
SMILESC=C(CI)Nc1ccccn1
InChIInChI=1S/C8H9IN2/c1-7(6-9)11-8-4-2-3-5-10-8/h2-5H,1,6H2,(H,10,11)
InChIKeyBWDHSOOIEAXQIA-UHFFFAOYSA-N
XLogP2.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pent-1-en-2-ylpyridin-2-amine
CID 129060161
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea
CID 780336
pyridin-2-ylthiourea
CID 1490491
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
1-[4-[1-(pyridin-2-ylamino)ethenyl]phenyl]ethanone
CID 144812192
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
methanol;N-methylpyridin-2-amine
CID 174971654
N-(2-methylidenebutyl)pyridin-2-amine
CID 131093254
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
2-(pyridin-2-ylamino)propan-2-ol
CID 91613794
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616

Frequently Asked Questions

What is the IUPAC name of N-(3-iodoprop-1-en-2-yl)pyridin-2-amine?
The IUPAC name of N-(3-iodoprop-1-en-2-yl)pyridin-2-amine (CID 155022725) is N-(3-iodoprop-1-en-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(3-iodoprop-1-en-2-yl)pyridin-2-amine?
The canonical SMILES for N-(3-iodoprop-1-en-2-yl)pyridin-2-amine is C=C(CI)Nc1ccccn1.
What is the InChIKey of N-(3-iodoprop-1-en-2-yl)pyridin-2-amine?
The InChIKey is BWDHSOOIEAXQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2/c1-7(6-9)11-8-4-2-3-5-10-8/h2-5H,1,6H2,(H,10,11).
What are the key properties of N-(3-iodoprop-1-en-2-yl)pyridin-2-amine?
N-(3-iodoprop-1-en-2-yl)pyridin-2-amine has a molecular weight of 260.08 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodoprop-1-en-2-yl)pyridin-2-amine is sourced from PubChem (CID 155022725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).