1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol

C10H12ClNO — CID 105110237

IUPAC1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol
SMILESCC(C)=CC(O)c1ccncc1Cl
InChIInChI=1S/C10H12ClNO/c1-7(2)5-10(13)8-3-4-12-6-9(8)11/h3-6,10,13H,1-2H3
InChIKeyBACZWMWMUZZDMW-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.73
Rot. Bonds2

About 1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol

1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol (PubChem CID 105110237) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol
PubChem CID105110237
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol
SMILESCC(C)=CC(O)c1ccncc1Cl
InChIInChI=1S/C10H12ClNO/c1-7(2)5-10(13)8-3-4-12-6-9(8)11/h3-6,10,13H,1-2H3
InChIKeyBACZWMWMUZZDMW-UHFFFAOYSA-N
XLogP2.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-chloro-4-pyridinyl)-3-methylbut-2-enyl]hydrazine
CID 105319871
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol
CID 105110481
1-(3-chloro-4-pyridinyl)propan-1-ol
CID 105088541
3-methyl-1-pyridin-4-ylbut-2-en-1-ol
CID 79190562
3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol
CID 165445125
1-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine
CID 105163768
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
1-(3-chloro-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 105163006
1-(3,4-dichlorophenyl)-3-methylbut-2-en-1-ol
CID 79191000
1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089032

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol (CID 105110237) is 1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol is CC(C)=CC(O)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol?
The InChIKey is BACZWMWMUZZDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7(2)5-10(13)8-3-4-12-6-9(8)11/h3-6,10,13H,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol?
1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol has a molecular weight of 197.66 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol is sourced from PubChem (CID 105110237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).