(E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride

C9H11Cl2FN2O — CID 175175718

IUPAC(E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride
SMILESCl.NC/C(=C\F)C(O)c1ccc(Cl)cn1
InChIInChI=1S/C9H10ClFN2O.ClH/c10-7-1-2-8(13-5-7)9(14)6(3-11)4-12;/h1-3,5,9,14H,4,12H2;1H/b6-3+;
InChIKeyULHPJCRRQNZNRN-ZIKNSQGESA-N
MW253.10 g/mol
LogP2.00
Rot. Bonds3

About (E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride

(E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride (PubChem CID 175175718) has the molecular formula C9H11Cl2FN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is (E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride.

Molecular Properties

Compound Name(E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride
PubChem CID175175718
Molecular FormulaC9H11Cl2FN2O
Molecular Weight253.10 g/mol
Exact Mass252.02
IUPAC Name(E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride
SMILESCl.NC/C(=C\F)C(O)c1ccc(Cl)cn1
InChIInChI=1S/C9H10ClFN2O.ClH/c10-7-1-2-8(13-5-7)9(14)6(3-11)4-12;/h1-3,5,9,14H,4,12H2;1H/b6-3+;
InChIKeyULHPJCRRQNZNRN-ZIKNSQGESA-N
XLogP2.00
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride?
The IUPAC name of (E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride (CID 175175718) is (E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride.
What is the SMILES notation for (E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride?
The canonical SMILES for (E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride is Cl.NC/C(=C\F)C(O)c1ccc(Cl)cn1.
What is the InChIKey of (E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride?
The InChIKey is ULHPJCRRQNZNRN-ZIKNSQGESA-N. The full InChI is InChI=1S/C9H10ClFN2O.ClH/c10-7-1-2-8(13-5-7)9(14)6(3-11)4-12;/h1-3,5,9,14H,4,12H2;1H/b6-3+;.
What are the key properties of (E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride?
(E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride has a molecular weight of 253.10 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(aminomethyl)-1-(5-chloro-2-pyridinyl)-3-fluoroprop-2-en-1-ol;hydrochloride is sourced from PubChem (CID 175175718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).