5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine

C13H12ClFN2 — CID 79727161

IUPAC5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine
SMILESCc1cc(C)cc(Nc2ncc(Cl)cc2F)c1
InChIInChI=1S/C13H12ClFN2/c1-8-3-9(2)5-11(4-8)17-13-12(15)6-10(14)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyYKNZKMHEPRIUKN-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.23
Rot. Bonds2

About 5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine

5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine (PubChem CID 79727161) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine
PubChem CID79727161
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine
SMILESCc1cc(C)cc(Nc2ncc(Cl)cc2F)c1
InChIInChI=1S/C13H12ClFN2/c1-8-3-9(2)5-11(4-8)17-13-12(15)6-10(14)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyYKNZKMHEPRIUKN-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine
CID 107586511
5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine
CID 104728088
N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 82766697
4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile
CID 79728798
N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine
CID 113398009
5-chloro-N-(2,6-difluorophenyl)-3-fluoropyridin-2-amine
CID 79727964
5-chloro-N-(2,6-dichlorophenyl)-3-fluoropyridin-2-amine
CID 79727188
5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
CID 79727989
N-(5-chloro-3-fluoro-2-pyridinyl)quinolin-3-amine
CID 79728611
3-bromo-5-chloro-N-(3,5-difluorophenyl)pyridin-2-amine
CID 114836633
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile
CID 79727692
5-bromo-3-chloro-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 103583097

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine (CID 79727161) is 5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine is Cc1cc(C)cc(Nc2ncc(Cl)cc2F)c1.
What is the InChIKey of 5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine?
The InChIKey is YKNZKMHEPRIUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-8-3-9(2)5-11(4-8)17-13-12(15)6-10(14)7-16-13/h3-7H,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine?
5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine has a molecular weight of 250.70 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 79727161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).