[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine

C9H9F5N2 — CID 130088384

IUPAC[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1cnc(C(F)(F)F)c(CN)c1C(F)F
InChIInChI=1S/C9H9F5N2/c1-4-3-16-7(9(12,13)14)5(2-15)6(4)8(10)11/h3,8H,2,15H2,1H3
InChIKeyKBXGKVGZOKXJPU-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.81
Rot. Bonds2

About [4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine

[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 130088384) has the molecular formula C9H9F5N2 and a molecular weight of 240.18 g/mol. Its IUPAC name is [4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID130088384
Molecular FormulaC9H9F5N2
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCc1cnc(C(F)(F)F)c(CN)c1C(F)F
InChIInChI=1S/C9H9F5N2/c1-4-3-16-7(9(12,13)14)5(2-15)6(4)8(10)11/h3,8H,2,15H2,1H3
InChIKeyKBXGKVGZOKXJPU-UHFFFAOYSA-N
XLogP2.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118801473
[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]methanamine
CID 130085961
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130074919
3-(difluoromethyl)-5-methyl-2-(trifluoromethyl)pyridin-4-amine
CID 118806773
[5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118846102
3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 118850626
[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070007
4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine
CID 118801264
[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 130082460
[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084912
4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine
CID 118852057
[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118824102

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine (CID 130088384) is [4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine is Cc1cnc(C(F)(F)F)c(CN)c1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is KBXGKVGZOKXJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2/c1-4-3-16-7(9(12,13)14)5(2-15)6(4)8(10)11/h3,8H,2,15H2,1H3.
What are the key properties of [4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine?
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 240.18 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 130088384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).