(Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine

C10H13FN2S — CID 146355777

IUPAC(Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine
SMILESCc1cccnc1SC/C(F)=C/CN
InChIInChI=1S/C10H13FN2S/c1-8-3-2-6-13-10(8)14-7-9(11)4-5-12/h2-4,6H,5,7,12H2,1H3/b9-4-
InChIKeyHXEBAQIVBJUQMZ-WTKPLQERSA-N
MW212.29 g/mol
LogP2.29
Rot. Bonds4

About (Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine

(Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine (PubChem CID 146355777) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is (Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine
PubChem CID146355777
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name(Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine
SMILESCc1cccnc1SC/C(F)=C/CN
InChIInChI=1S/C10H13FN2S/c1-8-3-2-6-13-10(8)14-7-9(11)4-5-12/h2-4,6H,5,7,12H2,1H3/b9-4-
InChIKeyHXEBAQIVBJUQMZ-WTKPLQERSA-N
XLogP2.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine (CID 146355777) is (Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine is Cc1cccnc1SC/C(F)=C/CN.
What is the InChIKey of (Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine?
The InChIKey is HXEBAQIVBJUQMZ-WTKPLQERSA-N. The full InChI is InChI=1S/C10H13FN2S/c1-8-3-2-6-13-10(8)14-7-9(11)4-5-12/h2-4,6H,5,7,12H2,1H3/b9-4-.
What are the key properties of (Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine?
(Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine has a molecular weight of 212.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine is sourced from PubChem (CID 146355777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).