[4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine

C7H6F4N2 — CID 130099744

IUPAC[4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine
SMILESNCc1ncc(F)c(C(F)F)c1F
InChIInChI=1S/C7H6F4N2/c8-3-2-13-4(1-12)6(9)5(3)7(10)11/h2,7H,1,12H2
InChIKeyCFVGFKMCLUUIAU-UHFFFAOYSA-N
MW194.13 g/mol
LogP1.76
Rot. Bonds2

About [4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine

[4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine (PubChem CID 130099744) has the molecular formula C7H6F4N2 and a molecular weight of 194.13 g/mol. Its IUPAC name is [4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine
PubChem CID130099744
Molecular FormulaC7H6F4N2
Molecular Weight194.13 g/mol
Exact Mass194.05
IUPAC Name[4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine
SMILESNCc1ncc(F)c(C(F)F)c1F
InChIInChI=1S/C7H6F4N2/c8-3-2-13-4(1-12)6(9)5(3)7(10)11/h2,7H,1,12H2
InChIKeyCFVGFKMCLUUIAU-UHFFFAOYSA-N
XLogP1.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-4-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118831229
[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118803013
[2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine
CID 130109451
2-chloro-4-(difluoromethyl)-3,5-difluoropyridine
CID 130099578
methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate
CID 133104155
3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130109494
[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118836836
2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118831356
[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094304
6-(aminomethyl)-5-chloro-4-(difluoromethyl)pyridin-3-ol
CID 118825681
[3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine
CID 118808483
6-(aminomethyl)-5-fluoropyridin-3-amine
CID 133061809

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine (CID 130099744) is [4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine is NCc1ncc(F)c(C(F)F)c1F.
What is the InChIKey of [4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine?
The InChIKey is CFVGFKMCLUUIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2/c8-3-2-13-4(1-12)6(9)5(3)7(10)11/h2,7H,1,12H2.
What are the key properties of [4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine?
[4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine has a molecular weight of 194.13 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine is sourced from PubChem (CID 130099744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).