(tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol

C14H21ClN2O2 — CID 167278323

IUPAC(tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol
SMILESCCO/C=C/c1cnc(Cl)cc1C(O)NC(C)(C)C
InChIInChI=1S/C14H21ClN2O2/c1-5-19-7-6-10-9-16-12(15)8-11(10)13(18)17-14(2,3)4/h6-9,13,17-18H,5H2,1-4H3/b7-6+
InChIKeyYKKKGHXVJBDTMU-VOTSOKGWSA-N
MW284.79 g/mol
LogP3.12
Rot. Bonds5

About (tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol

(tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol (PubChem CID 167278323) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name(tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol
PubChem CID167278323
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol
SMILESCCO/C=C/c1cnc(Cl)cc1C(O)NC(C)(C)C
InChIInChI=1S/C14H21ClN2O2/c1-5-19-7-6-10-9-16-12(15)8-11(10)13(18)17-14(2,3)4/h6-9,13,17-18H,5H2,1-4H3/b7-6+
InChIKeyYKKKGHXVJBDTMU-VOTSOKGWSA-N
XLogP3.12
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol?
The IUPAC name of (tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol (CID 167278323) is (tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol.
What is the SMILES notation for (tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol?
The canonical SMILES for (tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol is CCO/C=C/c1cnc(Cl)cc1C(O)NC(C)(C)C.
What is the InChIKey of (tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol?
The InChIKey is YKKKGHXVJBDTMU-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-5-19-7-6-10-9-16-12(15)8-11(10)13(18)17-14(2,3)4/h6-9,13,17-18H,5H2,1-4H3/b7-6+.
What are the key properties of (tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol?
(tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol has a molecular weight of 284.79 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (tert-butylamino)-[2-chloro-5-[(E)-2-ethoxyethenyl]-4-pyridinyl]methanol is sourced from PubChem (CID 167278323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).