[3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine

C9H10ClF3N2 — CID 162552842

IUPAC[3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCc1nc(CN)c(CCl)cc1C(F)(F)F
InChIInChI=1S/C9H10ClF3N2/c1-5-7(9(11,12)13)2-6(3-10)8(4-14)15-5/h2H,3-4,14H2,1H3
InChIKeyPJKCZQZPFPJGOR-UHFFFAOYSA-N
MW238.64 g/mol
LogP2.61
Rot. Bonds2

About [3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine

[3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 162552842) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is [3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID162552842
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name[3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCc1nc(CN)c(CCl)cc1C(F)(F)F
InChIInChI=1S/C9H10ClF3N2/c1-5-7(9(11,12)13)2-6(3-10)8(4-14)15-5/h2H,3-4,14H2,1H3
InChIKeyPJKCZQZPFPJGOR-UHFFFAOYSA-N
XLogP2.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,6-Dimethylpyridin-4-yl)methanamine
CID 13582819
1-(4,6-Dimethylpyridin-2-yl)methanamine
CID 15845722
[6-(Trifluoromethyl)pyridin-2-yl]methanamine hydrochloride
CID 17998868
(3,6-Dimethylpyridin-2-yl)methanamine
CID 22948776
5,6-Dimethyl-2-pyridinemethanamine
CID 45079545
(6-Chloro-4-(trifluoromethyl)pyridin-2-YL)methanamine
CID 57365275
3-(Chloromethyl)-2-methyl-6-(trifluoromethyl)pyridine
CID 59834815
2-(Chloromethyl)-4,6-dimethylpyridine hydrochloride
CID 67974131
3-(Chloromethyl)-2,6-dimethylpyridine hydrochloride
CID 69523772
Methyl(((6-(trifluoromethyl)pyridin-2-yl)methyl))amine
CID 70700692
2-(Chloromethyl)-6-methyl-4-(trifluoromethyl)pyridine
CID 72215176
(6-(1,1-Difluoroethyl)pyridin-2-yl)methanamine
CID 84766171

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 162552842) is [3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine is Cc1nc(CN)c(CCl)cc1C(F)(F)F.
What is the InChIKey of [3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is PJKCZQZPFPJGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2/c1-5-7(9(11,12)13)2-6(3-10)8(4-14)15-5/h2H,3-4,14H2,1H3.
What are the key properties of [3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine?
[3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 238.64 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 162552842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).