(2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine

C9H10BrF3N2 — CID 129408237

IUPAC(2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine
SMILESC[C@@H](NCc1ccnc(Br)c1)C(F)(F)F
InChIInChI=1S/C9H10BrF3N2/c1-6(9(11,12)13)15-5-7-2-3-14-8(10)4-7/h2-4,6,15H,5H2,1H3/t6-/m1/s1
InChIKeyUJPQDDVUZFTPFZ-ZCFIWIBFSA-N
MW283.09 g/mol
LogP2.88
Rot. Bonds3

About (2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine

(2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine (PubChem CID 129408237) has the molecular formula C9H10BrF3N2 and a molecular weight of 283.09 g/mol. Its IUPAC name is (2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine
PubChem CID129408237
Molecular FormulaC9H10BrF3N2
Molecular Weight283.09 g/mol
Exact Mass282.00
IUPAC Name(2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine
SMILESC[C@@H](NCc1ccnc(Br)c1)C(F)(F)F
InChIInChI=1S/C9H10BrF3N2/c1-6(9(11,12)13)15-5-7-2-3-14-8(10)4-7/h2-4,6,15H,5H2,1H3/t6-/m1/s1
InChIKeyUJPQDDVUZFTPFZ-ZCFIWIBFSA-N
XLogP2.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine with MolForge

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Related Compounds

2-bromopyridine-4-carbaldehyde;N-[(2-bromo-4-pyridinyl)methyl]propan-2-amine;propan-2-amine
CID 157340973
N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
CID 115708940
1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 118957862
(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 118957859
2-bromo-4-(2,2-dimethylpropyl)pyridine
CID 89410737
N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine
CID 59828878
4-[(3,3-dimethylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 115752803
2-bromo-4-(bromomethyl)pyridine;hydrochloride
CID 66569513
2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide
CID 66568573
(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 58538627
1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine
CID 146144972
2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol
CID 106752869

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of (2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine (CID 129408237) is (2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for (2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for (2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine is C[C@@H](NCc1ccnc(Br)c1)C(F)(F)F.
What is the InChIKey of (2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is UJPQDDVUZFTPFZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10BrF3N2/c1-6(9(11,12)13)15-5-7-2-3-14-8(10)4-7/h2-4,6,15H,5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine?
(2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 283.09 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 129408237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).