2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine

C11H6ClF3N2 — CID 102824187

IUPAC2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine
SMILESFc1cc(F)c(Nc2ccnc(Cl)c2)cc1F
InChIInChI=1S/C11H6ClF3N2/c12-11-3-6(1-2-16-11)17-10-5-8(14)7(13)4-9(10)15/h1-5H,(H,16,17)
InChIKeyAIHRTDBRJUKTCO-UHFFFAOYSA-N
MW258.63 g/mol
LogP3.90
Rot. Bonds2

About 2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine

2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine (PubChem CID 102824187) has the molecular formula C11H6ClF3N2 and a molecular weight of 258.63 g/mol. Its IUPAC name is 2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine
PubChem CID102824187
Molecular FormulaC11H6ClF3N2
Molecular Weight258.63 g/mol
Exact Mass258.02
IUPAC Name2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine
SMILESFc1cc(F)c(Nc2ccnc(Cl)c2)cc1F
InChIInChI=1S/C11H6ClF3N2/c12-11-3-6(1-2-16-11)17-10-5-8(14)7(13)4-9(10)15/h1-5H,(H,16,17)
InChIKeyAIHRTDBRJUKTCO-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.63
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine
CID 134408936
2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine
CID 102823905
N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine
CID 102824403
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine
CID 102824263
2-chloro-N-(4-chloro-2-iodophenyl)pyridin-4-amine
CID 107637140
5-[(2-chloro-4-pyridinyl)amino]-2-fluorobenzonitrile
CID 102824174
N-(4-bromo-2-chlorophenyl)-2-chloropyridin-4-amine
CID 102824004
4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 62927040
2-(5-chloro-2-fluorophenyl)-N-(2-chloro-4-pyridinyl)-1,8-naphthyridin-4-amine
CID 88913140
4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43438570
N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine
CID 102824308
N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine
CID 102824327

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine (CID 102824187) is 2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine is Fc1cc(F)c(Nc2ccnc(Cl)c2)cc1F.
What is the InChIKey of 2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine?
The InChIKey is AIHRTDBRJUKTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2/c12-11-3-6(1-2-16-11)17-10-5-8(14)7(13)4-9(10)15/h1-5H,(H,16,17).
What are the key properties of 2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine?
2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine has a molecular weight of 258.63 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine is sourced from PubChem (CID 102824187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).