[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol

C17H19ClN2O — CID 168920390

IUPAC[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol
SMILESCc1ccc(N2CCC(C(O)c3cccnc3)C2)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12-4-5-15(9-16(12)18)20-8-6-14(11-20)17(21)13-3-2-7-19-10-13/h2-5,7,9-10,14,17,21H,6,8,11H2,1H3
InChIKeyKNSNLKDPVTUCIA-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.60
Rot. Bonds3

About [1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol

[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol (PubChem CID 168920390) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is [1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol
PubChem CID168920390
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol
SMILESCc1ccc(N2CCC(C(O)c3cccnc3)C2)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12-4-5-15(9-16(12)18)20-8-6-14(11-20)17(21)13-3-2-7-19-10-13/h2-5,7,9-10,14,17,21H,6,8,11H2,1H3
InChIKeyKNSNLKDPVTUCIA-UHFFFAOYSA-N
XLogP3.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol (CID 168920390) is [1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol is Cc1ccc(N2CCC(C(O)c3cccnc3)C2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol?
The InChIKey is KNSNLKDPVTUCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-4-5-15(9-16(12)18)20-8-6-14(11-20)17(21)13-3-2-7-19-10-13/h2-5,7,9-10,14,17,21H,6,8,11H2,1H3.
What are the key properties of [1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol?
[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol has a molecular weight of 302.81 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 168920390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).