3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol

C9H12N2O2 — CID 146317492

IUPAC3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol
SMILESOCCCc1ccnc(/C=N/O)c1
InChIInChI=1S/C9H12N2O2/c12-5-1-2-8-3-4-10-9(6-8)7-11-13/h3-4,6-7,12-13H,1-2,5H2/b11-7+
InChIKeySJCGCFKYDVDING-YRNVUSSQSA-N
MW180.21 g/mol
LogP0.81
Rot. Bonds4

About 3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol

3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol (PubChem CID 146317492) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol
PubChem CID146317492
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol
SMILESOCCCc1ccnc(/C=N/O)c1
InChIInChI=1S/C9H12N2O2/c12-5-1-2-8-3-4-10-9(6-8)7-11-13/h3-4,6-7,12-13H,1-2,5H2/b11-7+
InChIKeySJCGCFKYDVDING-YRNVUSSQSA-N
XLogP0.81
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(4-chloro-2-pyridinyl)methylidene]hydroxylamine
CID 137006992
3-[2-(ethylamino)-4-pyridinyl]propan-1-ol
CID 57075658
N-[(4-methoxy-2-pyridinyl)methylidene]hydroxylamine
CID 137214364
3-[3-(3-hydroxypropyl)-5-(2-pyridin-2-ylethenyl)phenyl]propan-1-ol
CID 91123547
3-(3-nitrosophenyl)propan-1-ol
CID 89053704
4-[2-[(E)-hydroxyiminomethyl]-1-methylpyridin-1-ium-4-yl]butan-1-ol
CID 162470028
3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol
CID 19907378
N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine
CID 166762860
3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol
CID 18674989
4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine
CID 12034628
3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
(NE)-N-[(2-ethylpyrimidin-4-yl)methylidene]hydroxylamine
CID 136952913

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol?
The IUPAC name of 3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol (CID 146317492) is 3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol?
The canonical SMILES for 3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol is OCCCc1ccnc(/C=N/O)c1.
What is the InChIKey of 3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol?
The InChIKey is SJCGCFKYDVDING-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-5-1-2-8-3-4-10-9(6-8)7-11-13/h3-4,6-7,12-13H,1-2,5H2/b11-7+.
What are the key properties of 3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol?
3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol has a molecular weight of 180.21 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]propan-1-ol is sourced from PubChem (CID 146317492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).