3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine

C13H15ClF3N3 — CID 47075101

IUPAC3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC2CCN(C3CC3)C2)c(Cl)c1
InChIInChI=1S/C13H15ClF3N3/c14-11-5-8(13(15,16)17)6-18-12(11)19-9-3-4-20(7-9)10-1-2-10/h5-6,9-10H,1-4,7H2,(H,18,19)
InChIKeyCQOQRRUXNYERPR-UHFFFAOYSA-N
MW305.73 g/mol
LogP3.40
Rot. Bonds3

About 3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 47075101) has the molecular formula C13H15ClF3N3 and a molecular weight of 305.73 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID47075101
Molecular FormulaC13H15ClF3N3
Molecular Weight305.73 g/mol
Exact Mass305.09
IUPAC Name3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC2CCN(C3CC3)C2)c(Cl)c1
InChIInChI=1S/C13H15ClF3N3/c14-11-5-8(13(15,16)17)6-18-12(11)19-9-3-4-20(7-9)10-1-2-10/h5-6,9-10H,1-4,7H2,(H,18,19)
InChIKeyCQOQRRUXNYERPR-UHFFFAOYSA-N
XLogP3.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine (CID 47075101) is 3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NC2CCN(C3CC3)C2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CQOQRRUXNYERPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N3/c14-11-5-8(13(15,16)17)6-18-12(11)19-9-3-4-20(7-9)10-1-2-10/h5-6,9-10H,1-4,7H2,(H,18,19).
What are the key properties of 3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 305.73 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 47075101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).