6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine

C7H4ClF5N2 — CID 130102782

IUPAC6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine
SMILESNc1c(C(F)F)cc(Cl)nc1C(F)(F)F
InChIInChI=1S/C7H4ClF5N2/c8-3-1-2(6(9)10)4(14)5(15-3)7(11,12)13/h1,6H,14H2
InChIKeyZNQAWGBYCAHDKC-UHFFFAOYSA-N
MW246.57 g/mol
LogP3.27
Rot. Bonds1

About 6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine

6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine (PubChem CID 130102782) has the molecular formula C7H4ClF5N2 and a molecular weight of 246.57 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine
PubChem CID130102782
Molecular FormulaC7H4ClF5N2
Molecular Weight246.57 g/mol
Exact Mass246.00
IUPAC Name6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine
SMILESNc1c(C(F)F)cc(Cl)nc1C(F)(F)F
InChIInChI=1S/C7H4ClF5N2/c8-3-1-2(6(9)10)4(14)5(15-3)7(11,12)13/h1,6H,14H2
InChIKeyZNQAWGBYCAHDKC-UHFFFAOYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102458
6-chloro-4-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)pyridine
CID 130073838
4,6-dichloro-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 118846674
3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130102428
5-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridin-3-amine
CID 130104126
5-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridin-2-amine
CID 118999361
2-chloro-3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine
CID 130071827
[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118842676
6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine
CID 130073839
3,4,6-trichloro-2-(trifluoromethyl)pyridine
CID 171506095
5-bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 118999839
3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridin-2-amine
CID 119019045

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine (CID 130102782) is 6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine is Nc1c(C(F)F)cc(Cl)nc1C(F)(F)F.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine?
The InChIKey is ZNQAWGBYCAHDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF5N2/c8-3-1-2(6(9)10)4(14)5(15-3)7(11,12)13/h1,6H,14H2.
What are the key properties of 6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine?
6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine has a molecular weight of 246.57 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 130102782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).