3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine

C13H12FIN2O — CID 129390734

IUPAC3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine
SMILESC[C@H](Oc1cccnc1N)c1cc(F)ccc1I
InChIInChI=1S/C13H12FIN2O/c1-8(10-7-9(14)4-5-11(10)15)18-12-3-2-6-17-13(12)16/h2-8H,1H3,(H2,16,17)/t8-/m0/s1
InChIKeyOYOAYUWCUQLRHK-QMMMGPOBSA-N
MW358.15 g/mol
LogP3.55
Rot. Bonds3

About 3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine

3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine (PubChem CID 129390734) has the molecular formula C13H12FIN2O and a molecular weight of 358.15 g/mol. Its IUPAC name is 3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine
PubChem CID129390734
Molecular FormulaC13H12FIN2O
Molecular Weight358.15 g/mol
Exact Mass358.00
IUPAC Name3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine
SMILESC[C@H](Oc1cccnc1N)c1cc(F)ccc1I
InChIInChI=1S/C13H12FIN2O/c1-8(10-7-9(14)4-5-11(10)15)18-12-3-2-6-17-13(12)16/h2-8H,1H3,(H2,16,17)/t8-/m0/s1
InChIKeyOYOAYUWCUQLRHK-QMMMGPOBSA-N
XLogP3.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.15
LogP ≤ 53.55
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-[(1S)-1-(2-chloro-3,6-difluorophenyl)ethoxy]pyridin-2-amine
CID 141397007
3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine
CID 141396970
5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine
CID 124675155
3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine
CID 141099209
methyl 2-[(1R)-1-[(2-amino-3-pyridinyl)oxy]propyl]-4-fluorobenzoate
CID 129390721
5-bromo-3-[(1S)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395748
5-bromo-3-[(1R)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395746
3-[(1S)-1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine
CID 170270249
3-[(1R)-1-[2-[4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluorophenyl]ethoxy]pyridin-2-amine
CID 170286062
4-[6-amino-5-[(1R)-1-(5-fluoro-2-iodophenyl)ethoxy]-3-pyridinyl]-3-[(2-bromoaziridin-1-yl)methyl]-1-methylpyrazole-5-carbonitrile
CID 118003153
3-[(4-fluoro-2-methylphenyl)methoxy]pyridin-2-amine
CID 114345632
[6-amino-5-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]-3-pyridinyl]boronic acid
CID 164859391

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine?
The IUPAC name of 3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine (CID 129390734) is 3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine?
The canonical SMILES for 3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine is C[C@H](Oc1cccnc1N)c1cc(F)ccc1I.
What is the InChIKey of 3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine?
The InChIKey is OYOAYUWCUQLRHK-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H12FIN2O/c1-8(10-7-9(14)4-5-11(10)15)18-12-3-2-6-17-13(12)16/h2-8H,1H3,(H2,16,17)/t8-/m0/s1.
What are the key properties of 3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine?
3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine has a molecular weight of 358.15 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 129390734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).