5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine

C13H12ClFN2 — CID 79728401

IUPAC5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine
SMILESCc1ccccc1N(C)c1ncc(Cl)cc1F
InChIInChI=1S/C13H12ClFN2/c1-9-5-3-4-6-12(9)17(2)13-11(15)7-10(14)8-16-13/h3-8H,1-2H3
InChIKeyIYMSQIRLECBDEO-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.95
Rot. Bonds2

About 5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine

5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine (PubChem CID 79728401) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine
PubChem CID79728401
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine
SMILESCc1ccccc1N(C)c1ncc(Cl)cc1F
InChIInChI=1S/C13H12ClFN2/c1-9-5-3-4-6-12(9)17(2)13-11(15)7-10(14)8-16-13/h3-8H,1-2H3
InChIKeyIYMSQIRLECBDEO-UHFFFAOYSA-N
XLogP3.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine (CID 79728401) is 5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine is Cc1ccccc1N(C)c1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine?
The InChIKey is IYMSQIRLECBDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9-5-3-4-6-12(9)17(2)13-11(15)7-10(14)8-16-13/h3-8H,1-2H3.
What are the key properties of 5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine?
5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine has a molecular weight of 250.70 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 79728401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).