2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine

C7H4ClF5N2O — CID 118811897

IUPAC2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine
SMILESNc1c(OC(F)(F)F)cnc(Cl)c1C(F)F
InChIInChI=1S/C7H4ClF5N2O/c8-5-3(6(9)10)4(14)2(1-15-5)16-7(11,12)13/h1,6H,(H2,14,15)
InChIKeyDQLZMGYTNNHTFT-UHFFFAOYSA-N
MW262.56 g/mol
LogP3.15
Rot. Bonds2

About 2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine

2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine (PubChem CID 118811897) has the molecular formula C7H4ClF5N2O and a molecular weight of 262.56 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine
PubChem CID118811897
Molecular FormulaC7H4ClF5N2O
Molecular Weight262.56 g/mol
Exact Mass261.99
IUPAC Name2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine
SMILESNc1c(OC(F)(F)F)cnc(Cl)c1C(F)F
InChIInChI=1S/C7H4ClF5N2O/c8-5-3(6(9)10)4(14)2(1-15-5)16-7(11,12)13/h1,6H,(H2,14,15)
InChIKeyDQLZMGYTNNHTFT-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118851542
2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118812417
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridin-4-amine
CID 118800001
4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119015246
2-chloro-4-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130102535
3-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridin-2-amine
CID 119021668
4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805459
4-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119006704
3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine
CID 130093759
[3-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118853765
4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide
CID 118839727
4-(difluoromethyl)-2-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118823749

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine?
The IUPAC name of 2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine (CID 118811897) is 2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine is Nc1c(OC(F)(F)F)cnc(Cl)c1C(F)F.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine?
The InChIKey is DQLZMGYTNNHTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF5N2O/c8-5-3(6(9)10)4(14)2(1-15-5)16-7(11,12)13/h1,6H,(H2,14,15).
What are the key properties of 2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine?
2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine has a molecular weight of 262.56 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine is sourced from PubChem (CID 118811897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).