1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile

C10H9ClN2O — CID 153332954

IUPAC1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(Cl)cn2)CC1CO
InChIInChI=1S/C10H9ClN2O/c11-8-1-2-9(13-4-8)10(6-12)3-7(10)5-14/h1-2,4,7,14H,3,5H2
InChIKeyOTFVTEJKGPNJAK-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.51
Rot. Bonds2

About 1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile

1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile (PubChem CID 153332954) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile
PubChem CID153332954
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(Cl)cn2)CC1CO
InChIInChI=1S/C10H9ClN2O/c11-8-1-2-9(13-4-8)10(6-12)3-7(10)5-14/h1-2,4,7,14H,3,5H2
InChIKeyOTFVTEJKGPNJAK-UHFFFAOYSA-N
XLogP1.51
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile (CID 153332954) is 1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile is N#CC1(c2ccc(Cl)cn2)CC1CO.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile?
The InChIKey is OTFVTEJKGPNJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-8-1-2-9(13-4-8)10(6-12)3-7(10)5-14/h1-2,4,7,14H,3,5H2.
What are the key properties of 1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile?
1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile has a molecular weight of 208.65 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 153332954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).