1-(3-chloro-2-pyridinyl)cyclopropan-1-ol

C8H8ClNO — CID 174048880

IUPAC1-(3-chloro-2-pyridinyl)cyclopropan-1-ol
SMILESOC1(c2ncccc2Cl)CC1
InChIInChI=1S/C8H8ClNO/c9-6-2-1-5-10-7(6)8(11)3-4-8/h1-2,5,11H,3-4H2
InChIKeyCJIGXLJWIHJDRS-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.72
Rot. Bonds1

About 1-(3-chloro-2-pyridinyl)cyclopropan-1-ol

1-(3-chloro-2-pyridinyl)cyclopropan-1-ol (PubChem CID 174048880) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)cyclopropan-1-ol
PubChem CID174048880
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name1-(3-chloro-2-pyridinyl)cyclopropan-1-ol
SMILESOC1(c2ncccc2Cl)CC1
InChIInChI=1S/C8H8ClNO/c9-6-2-1-5-10-7(6)8(11)3-4-8/h1-2,5,11H,3-4H2
InChIKeyCJIGXLJWIHJDRS-UHFFFAOYSA-N
XLogP1.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)cyclopropan-1-ol?
The IUPAC name of 1-(3-chloro-2-pyridinyl)cyclopropan-1-ol (CID 174048880) is 1-(3-chloro-2-pyridinyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)cyclopropan-1-ol is OC1(c2ncccc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)cyclopropan-1-ol?
The InChIKey is CJIGXLJWIHJDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-6-2-1-5-10-7(6)8(11)3-4-8/h1-2,5,11H,3-4H2.
What are the key properties of 1-(3-chloro-2-pyridinyl)cyclopropan-1-ol?
1-(3-chloro-2-pyridinyl)cyclopropan-1-ol has a molecular weight of 169.61 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)cyclopropan-1-ol is sourced from PubChem (CID 174048880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).