3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride

C12H12ClFN2 — CID 69015794

IUPAC3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride
SMILESCc1cnc(N)c(-c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C12H11FN2.ClH/c1-8-6-11(12(14)15-7-8)9-2-4-10(13)5-3-9;/h2-7H,1H3,(H2,14,15);1H
InChIKeyKXXZRZGDTDEIOX-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.20
Rot. Bonds1

About 3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride

3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride (PubChem CID 69015794) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride
PubChem CID69015794
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride
SMILESCc1cnc(N)c(-c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C12H11FN2.ClH/c1-8-6-11(12(14)15-7-8)9-2-4-10(13)5-3-9;/h2-7H,1H3,(H2,14,15);1H
InChIKeyKXXZRZGDTDEIOX-UHFFFAOYSA-N
XLogP3.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride (CID 69015794) is 3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride is Cc1cnc(N)c(-c2ccc(F)cc2)c1.Cl.
What is the InChIKey of 3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride?
The InChIKey is KXXZRZGDTDEIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2.ClH/c1-8-6-11(12(14)15-7-8)9-2-4-10(13)5-3-9;/h2-7H,1H3,(H2,14,15);1H.
What are the key properties of 3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride?
3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride has a molecular weight of 238.69 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 69015794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).