[5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine

C8H6ClF5N2 — CID 118846102

IUPAC[5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1c(Cl)cnc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6ClF5N2/c9-4-2-16-6(8(12,13)14)5(7(10)11)3(4)1-15/h2,7H,1,15H2
InChIKeyBEWVQRHIPTWVIT-UHFFFAOYSA-N
MW260.59 g/mol
LogP3.15
Rot. Bonds2

About [5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine

[5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 118846102) has the molecular formula C8H6ClF5N2 and a molecular weight of 260.59 g/mol. Its IUPAC name is [5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID118846102
Molecular FormulaC8H6ClF5N2
Molecular Weight260.59 g/mol
Exact Mass260.01
IUPAC Name[5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1c(Cl)cnc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6ClF5N2/c9-4-2-16-6(8(12,13)14)5(7(10)11)3(4)1-15/h2,7H,1,15H2
InChIKeyBEWVQRHIPTWVIT-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-3-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 130071715
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130074919
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384
4-chloro-5-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 130102768
2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130074972
3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 118850626
[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070007
5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133084494
5-(difluoromethyl)-4-fluoro-6-(trifluoromethyl)pyridin-3-amine
CID 130104128
[3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 170906648
2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134684141
5-chloro-4-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
CID 134669618

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine (CID 118846102) is [5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine is NCc1c(Cl)cnc(C(F)(F)F)c1C(F)F.
What is the InChIKey of [5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is BEWVQRHIPTWVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2/c9-4-2-16-6(8(12,13)14)5(7(10)11)3(4)1-15/h2,7H,1,15H2.
What are the key properties of [5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine?
[5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 260.59 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 118846102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).