5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine

C12H6Cl2F4N2 — CID 79727796

IUPAC5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine
SMILESFc1cc(Cl)cnc1Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H6Cl2F4N2/c13-7-4-9(15)11(19-5-7)20-10-2-1-6(3-8(10)14)12(16,17)18/h1-5H,(H,19,20)
InChIKeyHPAWBLVRPAGJIO-UHFFFAOYSA-N
MW325.09 g/mol
LogP5.29
Rot. Bonds2

About 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine

5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine (PubChem CID 79727796) has the molecular formula C12H6Cl2F4N2 and a molecular weight of 325.09 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine
PubChem CID79727796
Molecular FormulaC12H6Cl2F4N2
Molecular Weight325.09 g/mol
Exact Mass323.98
IUPAC Name5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine
SMILESFc1cc(Cl)cnc1Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H6Cl2F4N2/c13-7-4-9(15)11(19-5-7)20-10-2-1-6(3-8(10)14)12(16,17)18/h1-5H,(H,19,20)
InChIKeyHPAWBLVRPAGJIO-UHFFFAOYSA-N
XLogP5.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.09
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632211
5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668446
5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine
CID 104728088
5-chloro-N-(2,6-dichlorophenyl)-3-fluoropyridin-2-amine
CID 79727188
4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 63667774
3,6-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 81037637
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22534207
5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 55233325
3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 114837222
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine
CID 63729895
5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine
CID 79727161

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine (CID 79727796) is 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine is Fc1cc(Cl)cnc1Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine?
The InChIKey is HPAWBLVRPAGJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F4N2/c13-7-4-9(15)11(19-5-7)20-10-2-1-6(3-8(10)14)12(16,17)18/h1-5H,(H,19,20).
What are the key properties of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine?
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine has a molecular weight of 325.09 g/mol, XLogP of 5.29, 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-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 79727796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).