1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine

C10H11FN2O — CID 165147934

IUPAC1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine
SMILESC#CC(N)Cc1cc(F)cnc1OC
InChIInChI=1S/C10H11FN2O/c1-3-9(12)5-7-4-8(11)6-13-10(7)14-2/h1,4,6,9H,5,12H2,2H3
InChIKeyHPBGUUNDDULFHI-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.73
Rot. Bonds3

About 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine

1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine (PubChem CID 165147934) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine
PubChem CID165147934
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine
SMILESC#CC(N)Cc1cc(F)cnc1OC
InChIInChI=1S/C10H11FN2O/c1-3-9(12)5-7-4-8(11)6-13-10(7)14-2/h1,4,6,9H,5,12H2,2H3
InChIKeyHPBGUUNDDULFHI-UHFFFAOYSA-N
XLogP0.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
CID 162422590
(5-fluoro-2-methoxy-3-pyridinyl)methyldiazene
CID 89227738
1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759845
1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine
CID 147248052
[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine
CID 67244915
3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 169463640
3-tert-butyl-5-fluoro-2-methoxypyridine
CID 126576651
N-amino-N-(5-fluoro-2-methoxy-3-pyridinyl)hydroxylamine
CID 164593678
5-fluoro-2-methoxy-3-pyridin-4-ylpyridine
CID 46315714
4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-ynenitrile
CID 170474891
(2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid
CID 169025372
2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130097445

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine?
The IUPAC name of 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine (CID 165147934) is 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine is C#CC(N)Cc1cc(F)cnc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine?
The InChIKey is HPBGUUNDDULFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-3-9(12)5-7-4-8(11)6-13-10(7)14-2/h1,4,6,9H,5,12H2,2H3.
What are the key properties of 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine?
1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine has a molecular weight of 194.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine is sourced from PubChem (CID 165147934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).