6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C12H8ClF4N3 — CID 107371102

IUPAC6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(Nc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C12H8ClF4N3/c13-7-3-8(14)5-9(4-7)19-11-2-6(12(15,16)17)1-10(18)20-11/h1-5H,(H3,18,19,20)
InChIKeyNUKIVLRPWYDSKI-UHFFFAOYSA-N
MW305.66 g/mol
LogP4.22
Rot. Bonds2

About 6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 107371102) has the molecular formula C12H8ClF4N3 and a molecular weight of 305.66 g/mol. Its IUPAC name is 6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID107371102
Molecular FormulaC12H8ClF4N3
Molecular Weight305.66 g/mol
Exact Mass305.03
IUPAC Name6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(Nc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C12H8ClF4N3/c13-7-3-8(14)5-9(4-7)19-11-2-6(12(15,16)17)1-10(18)20-11/h1-5H,(H3,18,19,20)
InChIKeyNUKIVLRPWYDSKI-UHFFFAOYSA-N
XLogP4.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 107371209
6-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 116700995
6-N-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717889
4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine
CID 102718784
4-N-[3-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 116701008
2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 107368848
6-N-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717101
4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 107371108
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidin-4-amine
CID 116700654
4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563699
4-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 116701005
6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717020

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 107371102) is 6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine is Nc1cc(C(F)(F)F)cc(Nc2cc(F)cc(Cl)c2)n1.
What is the InChIKey of 6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is NUKIVLRPWYDSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF4N3/c13-7-3-8(14)5-9(4-7)19-11-2-6(12(15,16)17)1-10(18)20-11/h1-5H,(H3,18,19,20).
What are the key properties of 6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 305.66 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 107371102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).