3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine

C12H14ClF3N2 — CID 43317119

IUPAC3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCC2CCCC2)c(Cl)c1
InChIInChI=1S/C12H14ClF3N2/c13-10-5-9(12(14,15)16)7-18-11(10)17-6-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,17,18)
InChIKeyLOQBJTMXVKBCKQ-UHFFFAOYSA-N
MW278.70 g/mol
LogP4.36
Rot. Bonds3

About 3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 43317119) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID43317119
Molecular FormulaC12H14ClF3N2
Molecular Weight278.70 g/mol
Exact Mass278.08
IUPAC Name3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCC2CCCC2)c(Cl)c1
InChIInChI=1S/C12H14ClF3N2/c13-10-5-9(12(14,15)16)7-18-11(10)17-6-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,17,18)
InChIKeyLOQBJTMXVKBCKQ-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 43317119) is 3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCC2CCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LOQBJTMXVKBCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c13-10-5-9(12(14,15)16)7-18-11(10)17-6-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,17,18).
What are the key properties of 3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 278.70 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 43317119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).