[1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol

C11H14ClNO — CID 66024332

IUPAC[1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol
SMILESOCC1(Cc2ccncc2Cl)CCC1
InChIInChI=1S/C11H14ClNO/c12-10-7-13-5-2-9(10)6-11(8-14)3-1-4-11/h2,5,7,14H,1,3-4,6,8H2
InChIKeyVZBXCFNBSKYLET-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.44
Rot. Bonds3

About [1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol

[1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol (PubChem CID 66024332) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is [1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol
PubChem CID66024332
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name[1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol
SMILESOCC1(Cc2ccncc2Cl)CCC1
InChIInChI=1S/C11H14ClNO/c12-10-7-13-5-2-9(10)6-11(8-14)3-1-4-11/h2,5,7,14H,1,3-4,6,8H2
InChIKeyVZBXCFNBSKYLET-UHFFFAOYSA-N
XLogP2.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine
CID 80603981
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
N-[[1-[(3-chloro-4-pyridinyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66024917
[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112697538
2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 114756635
[1-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 42215969
1-[(3-chloro-4-pyridinyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81314999
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol (CID 66024332) is [1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol is OCC1(Cc2ccncc2Cl)CCC1.
What is the InChIKey of [1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol?
The InChIKey is VZBXCFNBSKYLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-10-7-13-5-2-9(10)6-11(8-14)3-1-4-11/h2,5,7,14H,1,3-4,6,8H2.
What are the key properties of [1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol?
[1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol has a molecular weight of 211.69 g/mol, XLogP of 2.44, 3 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)methyl]cyclobutyl]methanol is sourced from PubChem (CID 66024332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).