N-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine

C18H11BrF3N3 — CID 139764800

IUPACN-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine
SMILESFC(F)(F)c1cccnc1/C(=N/c1ccccc1Br)c1cccnc1
InChIInChI=1S/C18H11BrF3N3/c19-14-7-1-2-8-15(14)25-16(12-5-3-9-23-11-12)17-13(18(20,21)22)6-4-10-24-17/h1-11H/b25-16+
InChIKeyKGBVLGJNSZHDRU-PCLIKHOPSA-N
MW406.21 g/mol
LogP5.43
Rot. Bonds3

About N-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine

N-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine (PubChem CID 139764800) has the molecular formula C18H11BrF3N3 and a molecular weight of 406.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine
PubChem CID139764800
Molecular FormulaC18H11BrF3N3
Molecular Weight406.21 g/mol
Exact Mass405.01
IUPAC NameN-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine
SMILESFC(F)(F)c1cccnc1/C(=N/c1ccccc1Br)c1cccnc1
InChIInChI=1S/C18H11BrF3N3/c19-14-7-1-2-8-15(14)25-16(12-5-3-9-23-11-12)17-13(18(20,21)22)6-4-10-24-17/h1-11H/b25-16+
InChIKeyKGBVLGJNSZHDRU-PCLIKHOPSA-N
XLogP5.43
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.21
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 6834
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CID 21413
2-(4-Bromophenyl)-5-pentylpyridine
CID 3092175
2-(2-(3-Pyridinyl)ethyl)pyridine
CID 248743
2-(4-Bromophenyl)-5-butylpyridine
CID 3126214
(2E)-3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine
CID 5458656
8-Bromoquinoline
CID 140109
2-[2-(5-Bromopyridin-3-yl)ethynyl]-5-methylpyridine
CID 16067787
4-[2-(3-Bromo-4-fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399562

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine?
The IUPAC name of N-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine (CID 139764800) is N-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine.
What is the SMILES notation for N-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine?
The canonical SMILES for N-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine is FC(F)(F)c1cccnc1/C(=N/c1ccccc1Br)c1cccnc1.
What is the InChIKey of N-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine?
The InChIKey is KGBVLGJNSZHDRU-PCLIKHOPSA-N. The full InChI is InChI=1S/C18H11BrF3N3/c19-14-7-1-2-8-15(14)25-16(12-5-3-9-23-11-12)17-13(18(20,21)22)6-4-10-24-17/h1-11H/b25-16+.
What are the key properties of N-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine?
N-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine has a molecular weight of 406.21 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-pyridin-3-yl-1-[3-(trifluoromethyl)-2-pyridinyl]methanimine is sourced from PubChem (CID 139764800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).