N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

C13H10BrF3N2 — CID 61402525

IUPACN-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCc1ccccc1Br
InChIInChI=1S/C13H10BrF3N2/c14-11-6-2-1-4-9(11)8-19-12-10(13(15,16)17)5-3-7-18-12/h1-7H,8H2,(H,18,19)
InChIKeyBSKSVHUWYYTPLT-UHFFFAOYSA-N
MW331.14 g/mol
LogP4.47
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 61402525) has the molecular formula C13H10BrF3N2 and a molecular weight of 331.14 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID61402525
Molecular FormulaC13H10BrF3N2
Molecular Weight331.14 g/mol
Exact Mass330.00
IUPAC NameN-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCc1ccccc1Br
InChIInChI=1S/C13H10BrF3N2/c14-11-6-2-1-4-9(11)8-19-12-10(13(15,16)17)5-3-7-18-12/h1-7H,8H2,(H,18,19)
InChIKeyBSKSVHUWYYTPLT-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796056
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 86979298
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
N-(2-methyl-2-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63541640
N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115620858
5-bromo-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80825700
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 54942856
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylsulfanylmethyl]benzonitrile
CID 112820590
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 61402525) is N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BSKSVHUWYYTPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2/c14-11-6-2-1-4-9(11)8-19-12-10(13(15,16)17)5-3-7-18-12/h1-7H,8H2,(H,18,19).
What are the key properties of N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 331.14 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 61402525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).