2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile

C11H10ClFN2O — CID 10562063

IUPAC2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile
SMILESCOc1c(C(C#N)C2CC2)ncc(F)c1Cl
InChIInChI=1S/C11H10ClFN2O/c1-16-11-9(12)8(13)5-15-10(11)7(4-14)6-2-3-6/h5-7H,2-3H2,1H3
InChIKeyHHJFDVGPNMQMCT-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.90
Rot. Bonds3

About 2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile

2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile (PubChem CID 10562063) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile.

Molecular Properties

Compound Name2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile
PubChem CID10562063
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile
SMILESCOc1c(C(C#N)C2CC2)ncc(F)c1Cl
InChIInChI=1S/C11H10ClFN2O/c1-16-11-9(12)8(13)5-15-10(11)7(4-14)6-2-3-6/h5-7H,2-3H2,1H3
InChIKeyHHJFDVGPNMQMCT-UHFFFAOYSA-N
XLogP2.90
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile?
The IUPAC name of 2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile (CID 10562063) is 2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile.
What is the SMILES notation for 2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile?
The canonical SMILES for 2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile is COc1c(C(C#N)C2CC2)ncc(F)c1Cl.
What is the InChIKey of 2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile?
The InChIKey is HHJFDVGPNMQMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-16-11-9(12)8(13)5-15-10(11)7(4-14)6-2-3-6/h5-7H,2-3H2,1H3.
What are the key properties of 2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile?
2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile has a molecular weight of 240.66 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-fluoro-3-methoxy-2-pyridinyl)-2-cyclopropylacetonitrile is sourced from PubChem (CID 10562063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).