(Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride

C10H15Cl2FN2O — CID 68772171

IUPAC(Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride
SMILESCc1ccc(OC/C(F)=C/CN)cn1.Cl.Cl
InChIInChI=1S/C10H13FN2O.2ClH/c1-8-2-3-10(6-13-8)14-7-9(11)4-5-12;;/h2-4,6H,5,7,12H2,1H3;2*1H/b9-4-;;
InChIKeyMVFJWLVQFBMJSH-FPAIPBCFSA-N
MW269.15 g/mol
LogP2.42
Rot. Bonds4

About (Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride

(Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride (PubChem CID 68772171) has the molecular formula C10H15Cl2FN2O and a molecular weight of 269.15 g/mol. Its IUPAC name is (Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride.

Molecular Properties

Compound Name(Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride
PubChem CID68772171
Molecular FormulaC10H15Cl2FN2O
Molecular Weight269.15 g/mol
Exact Mass268.05
IUPAC Name(Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride
SMILESCc1ccc(OC/C(F)=C/CN)cn1.Cl.Cl
InChIInChI=1S/C10H13FN2O.2ClH/c1-8-2-3-10(6-13-8)14-7-9(11)4-5-12;;/h2-4,6H,5,7,12H2,1H3;2*1H/b9-4-;;
InChIKeyMVFJWLVQFBMJSH-FPAIPBCFSA-N
XLogP2.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.42
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-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride?
The IUPAC name of (Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride (CID 68772171) is (Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride.
What is the SMILES notation for (Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride?
The canonical SMILES for (Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride is Cc1ccc(OC/C(F)=C/CN)cn1.Cl.Cl.
What is the InChIKey of (Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride?
The InChIKey is MVFJWLVQFBMJSH-FPAIPBCFSA-N. The full InChI is InChI=1S/C10H13FN2O.2ClH/c1-8-2-3-10(6-13-8)14-7-9(11)4-5-12;;/h2-4,6H,5,7,12H2,1H3;2*1H/b9-4-;;.
What are the key properties of (Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride?
(Z)-3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride has a molecular weight of 269.15 g/mol, XLogP of 2.42, 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-[(6-methyl-3-pyridinyl)oxy]but-2-en-1-amine;dihydrochloride is sourced from PubChem (CID 68772171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).