3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile

C10H9ClN2O — CID 47002221

IUPAC3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(OCC2CC2)ccc1Cl
InChIInChI=1S/C10H9ClN2O/c11-8-3-4-10(13-9(8)5-12)14-6-7-1-2-7/h3-4,7H,1-2,6H2
InChIKeyMVAAFTUKYKGJRU-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.40
Rot. Bonds3

About 3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile

3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile (PubChem CID 47002221) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile
PubChem CID47002221
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(OCC2CC2)ccc1Cl
InChIInChI=1S/C10H9ClN2O/c11-8-3-4-10(13-9(8)5-12)14-6-7-1-2-7/h3-4,7H,1-2,6H2
InChIKeyMVAAFTUKYKGJRU-UHFFFAOYSA-N
XLogP2.40
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile (CID 47002221) is 3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile is N#Cc1nc(OCC2CC2)ccc1Cl.
What is the InChIKey of 3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile?
The InChIKey is MVAAFTUKYKGJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-8-3-4-10(13-9(8)5-12)14-6-7-1-2-7/h3-4,7H,1-2,6H2.
What are the key properties of 3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile?
3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile has a molecular weight of 208.65 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 47002221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).