2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine

C12H10ClFN2 — CID 102825056

IUPAC2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine
SMILESCNc1ccnc(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H10ClFN2/c1-15-9-4-5-16-12(7-9)10-6-8(14)2-3-11(10)13/h2-7H,1H3,(H,15,16)
InChIKeyZIEYFMRJWLRVAW-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.58
Rot. Bonds2

About 2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine

2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine (PubChem CID 102825056) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine
PubChem CID102825056
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine
SMILESCNc1ccnc(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H10ClFN2/c1-15-9-4-5-16-12(7-9)10-6-8(14)2-3-11(10)13/h2-7H,1H3,(H,15,16)
InChIKeyZIEYFMRJWLRVAW-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine (CID 102825056) is 2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine is CNc1ccnc(-c2cc(F)ccc2Cl)c1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine?
The InChIKey is ZIEYFMRJWLRVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c1-15-9-4-5-16-12(7-9)10-6-8(14)2-3-11(10)13/h2-7H,1H3,(H,15,16).
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine?
2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine has a molecular weight of 236.68 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 102825056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).