N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine

C14H11BrClF3N2 — CID 102715585

IUPACN-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1ccccc1Br)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C14H11BrClF3N2/c1-21(8-9-4-2-3-5-11(9)15)13-7-10(14(17,18)19)6-12(16)20-13/h2-7H,8H2,1H3
InChIKeyVSFSEPGNUAZKRS-UHFFFAOYSA-N
MW379.61 g/mol
LogP5.15
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine

N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715585) has the molecular formula C14H11BrClF3N2 and a molecular weight of 379.61 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715585
Molecular FormulaC14H11BrClF3N2
Molecular Weight379.61 g/mol
Exact Mass377.97
IUPAC NameN-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1ccccc1Br)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C14H11BrClF3N2/c1-21(8-9-4-2-3-5-11(9)15)13-7-10(14(17,18)19)6-12(16)20-13/h2-7H,8H2,1H3
InChIKeyVSFSEPGNUAZKRS-UHFFFAOYSA-N
XLogP5.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.61
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715602
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717744
6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715603
6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715487
N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715332
6-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 63962798
[6-[(2-bromophenyl)methyl-methylamino]-3-chloro-2-pyridinyl]methanol
CID 61416679
N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715484
6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716058
2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417393
N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896379
4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747402

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 102715585) is N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CN(Cc1ccccc1Br)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VSFSEPGNUAZKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF3N2/c1-21(8-9-4-2-3-5-11(9)15)13-7-10(14(17,18)19)6-12(16)20-13/h2-7H,8H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 379.61 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).