[2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol

C10H12ClNO — CID 170498910

IUPAC[2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol
SMILESOCc1ccnc(C=CCCCl)c1
InChIInChI=1S/C10H12ClNO/c11-5-2-1-3-10-7-9(8-13)4-6-12-10/h1,3-4,6-7,13H,2,5,8H2
InChIKeyVPQRCWLMUIDPCH-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.22
Rot. Bonds4

About [2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol

[2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol (PubChem CID 170498910) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is [2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol
PubChem CID170498910
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name[2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol
SMILESOCc1ccnc(C=CCCCl)c1
InChIInChI=1S/C10H12ClNO/c11-5-2-1-3-10-7-9(8-13)4-6-12-10/h1,3-4,6-7,13H,2,5,8H2
InChIKeyVPQRCWLMUIDPCH-UHFFFAOYSA-N
XLogP2.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-chlorobut-1-enyl)pyridine-4-carboxylate
CID 170499563
[3-(4-chlorobut-1-enyl)-4-fluorophenyl]methanol
CID 170499033
[4-(4-chlorobut-1-enyl)-3-methylphenyl]methanol
CID 170499067
4-(4-chlorobut-1-enyl)pyrimidin-2-amine
CID 170498677
(2-chloro-4-pyridinyl)methanol
CID 7062237
benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate
CID 169471365
tris([2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol);ruthenium(2+);dichloride
CID 170900756
3-(4-fluoro-2-pyridinyl)prop-2-en-1-ol
CID 169452872
4-methyl-2-[(E)-pent-1-enyl]pyridine
CID 59772955
[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-pyridinyl]methanol
CID 57368643
[6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol
CID 170495527
(2-methyl-4-pyridinyl)methanol;hydrochloride
CID 171364039

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol?
The IUPAC name of [2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol (CID 170498910) is [2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol is OCc1ccnc(C=CCCCl)c1.
What is the InChIKey of [2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol?
The InChIKey is VPQRCWLMUIDPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-5-2-1-3-10-7-9(8-13)4-6-12-10/h1,3-4,6-7,13H,2,5,8H2.
What are the key properties of [2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol?
[2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol has a molecular weight of 197.66 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorobut-1-enyl)-4-pyridinyl]methanol is sourced from PubChem (CID 170498910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).