3-chloro-1-(1-fluoroethyl)pyridin-2-imine

C7H8ClFN2 — CID 138643324

IUPAC3-chloro-1-(1-fluoroethyl)pyridin-2-imine
SMILES[H]/N=c1\c(Cl)cccn1C(C)F
InChIInChI=1S/C7H8ClFN2/c1-5(9)11-4-2-3-6(8)7(11)10/h2-5,10H,1H3/b10-7+
InChIKeyWELFPBRHHWRBGE-JXMROGBWSA-N
MW174.61 g/mol
LogP2.11
Rot. Bonds1

About 3-chloro-1-(1-fluoroethyl)pyridin-2-imine

3-chloro-1-(1-fluoroethyl)pyridin-2-imine (PubChem CID 138643324) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is 3-chloro-1-(1-fluoroethyl)pyridin-2-imine.

Molecular Properties

Compound Name3-chloro-1-(1-fluoroethyl)pyridin-2-imine
PubChem CID138643324
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name3-chloro-1-(1-fluoroethyl)pyridin-2-imine
SMILES[H]/N=c1\c(Cl)cccn1C(C)F
InChIInChI=1S/C7H8ClFN2/c1-5(9)11-4-2-3-6(8)7(11)10/h2-5,10H,1H3/b10-7+
InChIKeyWELFPBRHHWRBGE-JXMROGBWSA-N
XLogP2.11
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(1-fluoroethyl)pyridin-2-imine?
The IUPAC name of 3-chloro-1-(1-fluoroethyl)pyridin-2-imine (CID 138643324) is 3-chloro-1-(1-fluoroethyl)pyridin-2-imine.
What is the SMILES notation for 3-chloro-1-(1-fluoroethyl)pyridin-2-imine?
The canonical SMILES for 3-chloro-1-(1-fluoroethyl)pyridin-2-imine is [H]/N=c1\c(Cl)cccn1C(C)F.
What is the InChIKey of 3-chloro-1-(1-fluoroethyl)pyridin-2-imine?
The InChIKey is WELFPBRHHWRBGE-JXMROGBWSA-N. The full InChI is InChI=1S/C7H8ClFN2/c1-5(9)11-4-2-3-6(8)7(11)10/h2-5,10H,1H3/b10-7+.
What are the key properties of 3-chloro-1-(1-fluoroethyl)pyridin-2-imine?
3-chloro-1-(1-fluoroethyl)pyridin-2-imine has a molecular weight of 174.61 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(1-fluoroethyl)pyridin-2-imine is sourced from PubChem (CID 138643324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).