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

C8H6ClF5N2 — CID 130074919

IUPAC[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1c(C(F)(F)F)ncc(C(F)F)c1Cl
InChIInChI=1S/C8H6ClF5N2/c9-5-3(1-15)6(8(12,13)14)16-2-4(5)7(10)11/h2,7H,1,15H2
InChIKeyVOJRJUJTFWWOSP-UHFFFAOYSA-N
MW260.59 g/mol
LogP3.15
Rot. Bonds2

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

[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 130074919) has the molecular formula C8H6ClF5N2 and a molecular weight of 260.59 g/mol. Its IUPAC name is [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID130074919
Molecular FormulaC8H6ClF5N2
Molecular Weight260.59 g/mol
Exact Mass260.01
IUPAC Name[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1c(C(F)(F)F)ncc(C(F)F)c1Cl
InChIInChI=1S/C8H6ClF5N2/c9-5-3(1-15)6(8(12,13)14)16-2-4(5)7(10)11/h2,7H,1,15H2
InChIKeyVOJRJUJTFWWOSP-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

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Related Compounds

[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118839353
3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 118850626
[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070007
[5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118846102
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384
[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084912
3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130071095
[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 118829918
ethyl 2-[3-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 134662366
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118844985
4-chloro-5-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 130102768
[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088386

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine (CID 130074919) is [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1c(C(F)(F)F)ncc(C(F)F)c1Cl.
What is the InChIKey of [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is VOJRJUJTFWWOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2/c9-5-3(1-15)6(8(12,13)14)16-2-4(5)7(10)11/h2,7H,1,15H2.
What are the key properties of [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine?
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-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 [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 130074919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).