(2-pyrrolidin-1-yl-3-pyridinyl)methanol

C10H14N2O — CID 2794726

IUPAC(2-pyrrolidin-1-yl-3-pyridinyl)methanol
SMILESOCc1cccnc1N1CCCC1
InChIInChI=1S/C10H14N2O/c13-8-9-4-3-5-11-10(9)12-6-1-2-7-12/h3-5,13H,1-2,6-8H2
InChIKeyMMQDGAPSSLJMEW-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.17
Rot. Bonds2

About (2-pyrrolidin-1-yl-3-pyridinyl)methanol

(2-pyrrolidin-1-yl-3-pyridinyl)methanol (PubChem CID 2794726) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (2-pyrrolidin-1-yl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-pyrrolidin-1-yl-3-pyridinyl)methanol
PubChem CID2794726
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(2-pyrrolidin-1-yl-3-pyridinyl)methanol
SMILESOCc1cccnc1N1CCCC1
InChIInChI=1S/C10H14N2O/c13-8-9-4-3-5-11-10(9)12-6-1-2-7-12/h3-5,13H,1-2,6-8H2
InChIKeyMMQDGAPSSLJMEW-UHFFFAOYSA-N
XLogP1.17
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-pyrrolidin-1-yl-3-pyridinyl)methanol?
The IUPAC name of (2-pyrrolidin-1-yl-3-pyridinyl)methanol (CID 2794726) is (2-pyrrolidin-1-yl-3-pyridinyl)methanol.
What is the SMILES notation for (2-pyrrolidin-1-yl-3-pyridinyl)methanol?
The canonical SMILES for (2-pyrrolidin-1-yl-3-pyridinyl)methanol is OCc1cccnc1N1CCCC1.
What is the InChIKey of (2-pyrrolidin-1-yl-3-pyridinyl)methanol?
The InChIKey is MMQDGAPSSLJMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-8-9-4-3-5-11-10(9)12-6-1-2-7-12/h3-5,13H,1-2,6-8H2.
What are the key properties of (2-pyrrolidin-1-yl-3-pyridinyl)methanol?
(2-pyrrolidin-1-yl-3-pyridinyl)methanol has a molecular weight of 178.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrrolidin-1-yl-3-pyridinyl)methanol is sourced from PubChem (CID 2794726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).