(6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine

C10H13ClN2O — CID 62289507

IUPAC(6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine
SMILESC=CCCOc1ccc(Cl)c(CN)n1
InChIInChI=1S/C10H13ClN2O/c1-2-3-6-14-10-5-4-8(11)9(7-12)13-10/h2,4-5H,1,3,6-7,12H2
InChIKeyBYJLNWKYVXPWPP-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.15
Rot. Bonds5

About (6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine

(6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine (PubChem CID 62289507) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is (6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine
PubChem CID62289507
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name(6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine
SMILESC=CCCOc1ccc(Cl)c(CN)n1
InChIInChI=1S/C10H13ClN2O/c1-2-3-6-14-10-5-4-8(11)9(7-12)13-10/h2,4-5H,1,3,6-7,12H2
InChIKeyBYJLNWKYVXPWPP-UHFFFAOYSA-N
XLogP2.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine?
The IUPAC name of (6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine (CID 62289507) is (6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine.
What is the SMILES notation for (6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine?
The canonical SMILES for (6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine is C=CCCOc1ccc(Cl)c(CN)n1.
What is the InChIKey of (6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine?
The InChIKey is BYJLNWKYVXPWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-2-3-6-14-10-5-4-8(11)9(7-12)13-10/h2,4-5H,1,3,6-7,12H2.
What are the key properties of (6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine?
(6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine has a molecular weight of 212.68 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine is sourced from PubChem (CID 62289507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).