1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine

C7H8FIN2 — CID 133060048

IUPAC1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine
SMILESCC(N)c1ncc(I)cc1F
InChIInChI=1S/C7H8FIN2/c1-4(10)7-6(8)2-5(9)3-11-7/h2-4H,10H2,1H3
InChIKeyKKDKWTNLATWCOT-UHFFFAOYSA-N
MW266.06 g/mol
LogP1.85
Rot. Bonds1

About 1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine

1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine (PubChem CID 133060048) has the molecular formula C7H8FIN2 and a molecular weight of 266.06 g/mol. Its IUPAC name is 1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine
PubChem CID133060048
Molecular FormulaC7H8FIN2
Molecular Weight266.06 g/mol
Exact Mass265.97
IUPAC Name1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine
SMILESCC(N)c1ncc(I)cc1F
InChIInChI=1S/C7H8FIN2/c1-4(10)7-6(8)2-5(9)3-11-7/h2-4H,10H2,1H3
InChIKeyKKDKWTNLATWCOT-UHFFFAOYSA-N
XLogP1.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine
CID 74787967
1-[3-fluoro-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
CID 77402493
2-(difluoromethyl)-5-iodopyridin-3-amine
CID 130094620
(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine
CID 122237447
1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 154727553
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
1-(2-fluoro-5-iodo-3-pyridinyl)ethanol
CID 133055122
1-(5-fluoropyrimidin-2-yl)ethanamine
CID 50994814
2-[[6-(1-aminoethyl)-5-fluoro-3-pyridinyl]amino]-5-fluorobenzonitrile
CID 59496426
(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol
CID 70700762
3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine
CID 130624544
2-(chloromethyl)-3-fluoro-5-iodopyridine
CID 131115815

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine (CID 133060048) is 1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine is CC(N)c1ncc(I)cc1F.
What is the InChIKey of 1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine?
The InChIKey is KKDKWTNLATWCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FIN2/c1-4(10)7-6(8)2-5(9)3-11-7/h2-4H,10H2,1H3.
What are the key properties of 1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine?
1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine has a molecular weight of 266.06 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine is sourced from PubChem (CID 133060048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).