5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine

C12H8Cl3FN2 — CID 104728088

IUPAC5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine
SMILESCc1cc(Cl)c(Nc2ncc(Cl)cc2F)cc1Cl
InChIInChI=1S/C12H8Cl3FN2/c1-6-2-9(15)11(4-8(6)14)18-12-10(16)3-7(13)5-17-12/h2-5H,1H3,(H,17,18)
InChIKeyARJNODJDSQIWCB-UHFFFAOYSA-N
MW305.57 g/mol
LogP5.23
Rot. Bonds2

About 5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine

5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine (PubChem CID 104728088) has the molecular formula C12H8Cl3FN2 and a molecular weight of 305.57 g/mol. Its IUPAC name is 5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine
PubChem CID104728088
Molecular FormulaC12H8Cl3FN2
Molecular Weight305.57 g/mol
Exact Mass303.97
IUPAC Name5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine
SMILESCc1cc(Cl)c(Nc2ncc(Cl)cc2F)cc1Cl
InChIInChI=1S/C12H8Cl3FN2/c1-6-2-9(15)11(4-8(6)14)18-12-10(16)3-7(13)5-17-12/h2-5H,1H3,(H,17,18)
InChIKeyARJNODJDSQIWCB-UHFFFAOYSA-N
XLogP5.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.57
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine
CID 79727161
5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine
CID 107586511
N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 82766697
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine
CID 79727796
5-chloro-N-(2,6-dichlorophenyl)-3-fluoropyridin-2-amine
CID 79727188
5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile
CID 104725902
5-chloro-N-(2,6-difluorophenyl)-3-fluoropyridin-2-amine
CID 79727964
5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine
CID 79727364
N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 104728727
N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 81288206
2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine
CID 113445735
5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 79728759

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine (CID 104728088) is 5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine is Cc1cc(Cl)c(Nc2ncc(Cl)cc2F)cc1Cl.
What is the InChIKey of 5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine?
The InChIKey is ARJNODJDSQIWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3FN2/c1-6-2-9(15)11(4-8(6)14)18-12-10(16)3-7(13)5-17-12/h2-5H,1H3,(H,17,18).
What are the key properties of 5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine?
5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine has a molecular weight of 305.57 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 104728088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).