5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine

C13H12ClFN2 — CID 81045380

IUPAC5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine
SMILESCc1cc(-c2ccc(N)nc2C)c(Cl)cc1F
InChIInChI=1S/C13H12ClFN2/c1-7-5-10(11(14)6-12(7)15)9-3-4-13(16)17-8(9)2/h3-6H,1-2H3,(H2,16,17)
InChIKeyPULZPNZBQNJTEG-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.74
Rot. Bonds1

About 5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine

5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine (PubChem CID 81045380) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine
PubChem CID81045380
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine
SMILESCc1cc(-c2ccc(N)nc2C)c(Cl)cc1F
InChIInChI=1S/C13H12ClFN2/c1-7-5-10(11(14)6-12(7)15)9-3-4-13(16)17-8(9)2/h3-6H,1-2H3,(H2,16,17)
InChIKeyPULZPNZBQNJTEG-UHFFFAOYSA-N
XLogP3.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine?
The IUPAC name of 5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine (CID 81045380) is 5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine.
What is the SMILES notation for 5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine?
The canonical SMILES for 5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine is Cc1cc(-c2ccc(N)nc2C)c(Cl)cc1F.
What is the InChIKey of 5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine?
The InChIKey is PULZPNZBQNJTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-7-5-10(11(14)6-12(7)15)9-3-4-13(16)17-8(9)2/h3-6H,1-2H3,(H2,16,17).
What are the key properties of 5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine?
5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine has a molecular weight of 250.70 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine is sourced from PubChem (CID 81045380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).