[5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol

C15H21ClN2O — CID 114920343

IUPAC[5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol
SMILESOCc1cc(N2CCCC2C2CCCC2)ncc1Cl
InChIInChI=1S/C15H21ClN2O/c16-13-9-17-15(8-12(13)10-19)18-7-3-6-14(18)11-4-1-2-5-11/h8-9,11,14,19H,1-7,10H2
InChIKeyXRQHZLBHUBXPTR-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.39
Rot. Bonds3

About [5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol

[5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol (PubChem CID 114920343) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is [5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol
PubChem CID114920343
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name[5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol
SMILESOCc1cc(N2CCCC2C2CCCC2)ncc1Cl
InChIInChI=1S/C15H21ClN2O/c16-13-9-17-15(8-12(13)10-19)18-7-3-6-14(18)11-4-1-2-5-11/h8-9,11,14,19H,1-7,10H2
InChIKeyXRQHZLBHUBXPTR-UHFFFAOYSA-N
XLogP3.39
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(2-methylpiperidin-1-yl)-4-pyridinyl]methanol
CID 114920177
1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol
CID 114920202
(4aR,8aS)-1-(6-chloropyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 129367185
(4aR,8aR)-1-(5-chloro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727780
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol
CID 65320137
[5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-4-pyridinyl]methanol
CID 114920435
[2-(8-azaspiro[4.5]decan-8-yl)-5-chloro-4-pyridinyl]methanol
CID 114920391
[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-pyridinyl]methanol
CID 114920295
[5-chloro-2-(3-methoxyazetidin-1-yl)-4-pyridinyl]methanol
CID 167434559
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol
CID 43628365
5-chloro-4-(chloromethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine
CID 114921090
[5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol
CID 114920185

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol (CID 114920343) is [5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol is OCc1cc(N2CCCC2C2CCCC2)ncc1Cl.
What is the InChIKey of [5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol?
The InChIKey is XRQHZLBHUBXPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-13-9-17-15(8-12(13)10-19)18-7-3-6-14(18)11-4-1-2-5-11/h8-9,11,14,19H,1-7,10H2.
What are the key properties of [5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol?
[5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol has a molecular weight of 280.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 114920343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).