3-(5-cyclopropyl-2-pyridinyl)phenol

C14H13NO — CID 134389547

IUPAC3-(5-cyclopropyl-2-pyridinyl)phenol
SMILESOc1cccc(-c2ccc(C3CC3)cn2)c1
InChIInChI=1S/C14H13NO/c16-13-3-1-2-11(8-13)14-7-6-12(9-15-14)10-4-5-10/h1-3,6-10,16H,4-5H2
InChIKeyMPBAFDHNDMODSS-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.33
Rot. Bonds2

About 3-(5-cyclopropyl-2-pyridinyl)phenol

3-(5-cyclopropyl-2-pyridinyl)phenol (PubChem CID 134389547) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(5-cyclopropyl-2-pyridinyl)phenol.

Molecular Properties

Compound Name3-(5-cyclopropyl-2-pyridinyl)phenol
PubChem CID134389547
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-(5-cyclopropyl-2-pyridinyl)phenol
SMILESOc1cccc(-c2ccc(C3CC3)cn2)c1
InChIInChI=1S/C14H13NO/c16-13-3-1-2-11(8-13)14-7-6-12(9-15-14)10-4-5-10/h1-3,6-10,16H,4-5H2
InChIKeyMPBAFDHNDMODSS-UHFFFAOYSA-N
XLogP3.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-2-pyridinyl)phenol?
The IUPAC name of 3-(5-cyclopropyl-2-pyridinyl)phenol (CID 134389547) is 3-(5-cyclopropyl-2-pyridinyl)phenol.
What is the SMILES notation for 3-(5-cyclopropyl-2-pyridinyl)phenol?
The canonical SMILES for 3-(5-cyclopropyl-2-pyridinyl)phenol is Oc1cccc(-c2ccc(C3CC3)cn2)c1.
What is the InChIKey of 3-(5-cyclopropyl-2-pyridinyl)phenol?
The InChIKey is MPBAFDHNDMODSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-13-3-1-2-11(8-13)14-7-6-12(9-15-14)10-4-5-10/h1-3,6-10,16H,4-5H2.
What are the key properties of 3-(5-cyclopropyl-2-pyridinyl)phenol?
3-(5-cyclopropyl-2-pyridinyl)phenol has a molecular weight of 211.26 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-2-pyridinyl)phenol is sourced from PubChem (CID 134389547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).