3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine

C9H11FN2O — CID 169463640

IUPAC3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine
SMILESCOc1ncc(F)cc1C=CCN
InChIInChI=1S/C9H11FN2O/c1-13-9-7(3-2-4-11)5-8(10)6-12-9/h2-3,5-6H,4,11H2,1H3
InChIKeyVVOBTMZXIMXATF-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.20
Rot. Bonds3

About 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine

3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine (PubChem CID 169463640) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine
PubChem CID169463640
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine
SMILESCOc1ncc(F)cc1C=CCN
InChIInChI=1S/C9H11FN2O/c1-13-9-7(3-2-4-11)5-8(10)6-12-9/h2-3,5-6H,4,11H2,1H3
InChIKeyVVOBTMZXIMXATF-UHFFFAOYSA-N
XLogP1.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-ene-1-thiol
CID 170478403
4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495839
N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide
CID 169465531
methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479055
tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-enyl]carbamate
CID 170490540
5-(3-aminoprop-1-enyl)-2-methoxypyridin-3-amine
CID 169463540
3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine
CID 169475561
3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
CID 169454116
[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine
CID 67244915
3-(2,5-difluorophenyl)prop-2-en-1-amine
CID 76997167
(E)-3-(3-fluoro-2-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285354
(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 117285336

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine?
The IUPAC name of 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine (CID 169463640) is 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine is COc1ncc(F)cc1C=CCN.
What is the InChIKey of 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine?
The InChIKey is VVOBTMZXIMXATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-13-9-7(3-2-4-11)5-8(10)6-12-9/h2-3,5-6H,4,11H2,1H3.
What are the key properties of 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine?
3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine has a molecular weight of 182.20 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 169463640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).