[1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol

C11H15ClN2O — CID 166915934

IUPAC[1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
SMILESCc1ccnc(N2CCC(CO)C2)c1Cl
InChIInChI=1S/C11H15ClN2O/c1-8-2-4-13-11(10(8)12)14-5-3-9(6-14)7-15/h2,4,9,15H,3,5-7H2,1H3
InChIKeyKPTOGABYEBEAQB-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.86
Rot. Bonds2

About [1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol

[1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol (PubChem CID 166915934) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is [1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
PubChem CID166915934
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name[1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
SMILESCc1ccnc(N2CCC(CO)C2)c1Cl
InChIInChI=1S/C11H15ClN2O/c1-8-2-4-13-11(10(8)12)14-5-3-9(6-14)7-15/h2,4,9,15H,3,5-7H2,1H3
InChIKeyKPTOGABYEBEAQB-UHFFFAOYSA-N
XLogP1.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 106876332
1-(3-chloro-4-methyl-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 75457578
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407847
5-chloro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979644
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 106876092
3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 112624077
[1-(2-methyl-3-pyridinyl)pyrrolidin-3-yl]methanol
CID 79044202
[1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112627020
[1-(6-amino-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629520
[1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol
CID 71650041

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol (CID 166915934) is [1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol is Cc1ccnc(N2CCC(CO)C2)c1Cl.
What is the InChIKey of [1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol?
The InChIKey is KPTOGABYEBEAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-2-4-13-11(10(8)12)14-5-3-9(6-14)7-15/h2,4,9,15H,3,5-7H2,1H3.
What are the key properties of [1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol?
[1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol has a molecular weight of 226.71 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 166915934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).