5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine

C12H14BrClF3N3 — CID 103580083

IUPAC5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESFC(F)(F)CN1CCC(CNc2ncc(Br)cc2Cl)C1
InChIInChI=1S/C12H14BrClF3N3/c13-9-3-10(14)11(19-5-9)18-4-8-1-2-20(6-8)7-12(15,16)17/h3,5,8H,1-2,4,6-7H2,(H,18,19)
InChIKeyZATKAHQVWMNFNI-UHFFFAOYSA-N
MW372.62 g/mol
LogP3.79
Rot. Bonds4

About 5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine

5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 103580083) has the molecular formula C12H14BrClF3N3 and a molecular weight of 372.62 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID103580083
Molecular FormulaC12H14BrClF3N3
Molecular Weight372.62 g/mol
Exact Mass371.00
IUPAC Name5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESFC(F)(F)CN1CCC(CNc2ncc(Br)cc2Cl)C1
InChIInChI=1S/C12H14BrClF3N3/c13-9-3-10(14)11(19-5-9)18-4-8-1-2-20(6-8)7-12(15,16)17/h3,5,8H,1-2,4,6-7H2,(H,18,19)
InChIKeyZATKAHQVWMNFNI-UHFFFAOYSA-N
XLogP3.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 103582744
5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 103582514
6-chloro-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 106192696
4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyridazin-6-one
CID 114391986
4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 60856650
3,5-dichloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 60855947
5-amino-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974112
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 61253564
5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 103584118
2-chloro-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]benzonitrile
CID 62501418
3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 114046183
4-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 81229419

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 103580083) is 5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine is FC(F)(F)CN1CCC(CNc2ncc(Br)cc2Cl)C1.
What is the InChIKey of 5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is ZATKAHQVWMNFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClF3N3/c13-9-3-10(14)11(19-5-9)18-4-8-1-2-20(6-8)7-12(15,16)17/h3,5,8H,1-2,4,6-7H2,(H,18,19).
What are the key properties of 5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 372.62 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 103580083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).