1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile

C10H9ClN2O — CID 163291002

IUPAC1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile
SMILESCOc1nc(C2(C#N)CC2)ccc1Cl
InChIInChI=1S/C10H9ClN2O/c1-14-9-7(11)2-3-8(13-9)10(6-12)4-5-10/h2-3H,4-5H2,1H3
InChIKeyGCKCCYGUXANWRI-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.30
Rot. Bonds2

About 1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile

1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile (PubChem CID 163291002) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile
PubChem CID163291002
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile
SMILESCOc1nc(C2(C#N)CC2)ccc1Cl
InChIInChI=1S/C10H9ClN2O/c1-14-9-7(11)2-3-8(13-9)10(6-12)4-5-10/h2-3H,4-5H2,1H3
InChIKeyGCKCCYGUXANWRI-UHFFFAOYSA-N
XLogP2.30
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile (CID 163291002) is 1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile is COc1nc(C2(C#N)CC2)ccc1Cl.
What is the InChIKey of 1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile?
The InChIKey is GCKCCYGUXANWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-14-9-7(11)2-3-8(13-9)10(6-12)4-5-10/h2-3H,4-5H2,1H3.
What are the key properties of 1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile?
1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile has a molecular weight of 208.65 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-methoxy-2-pyridinyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 163291002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).