4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one

C7H7ClF2N2O — CID 118835539

IUPAC4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1c(C(F)F)c[nH]c(=O)c1Cl
InChIInChI=1S/C7H7ClF2N2O/c8-5-3(1-11)4(6(9)10)2-12-7(5)13/h2,6H,1,11H2,(H,12,13)
InChIKeyDUBIVWVEWKSXLJ-UHFFFAOYSA-N
MW208.59 g/mol
LogP1.42
Rot. Bonds2

About 4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one

4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 118835539) has the molecular formula C7H7ClF2N2O and a molecular weight of 208.59 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one
PubChem CID118835539
Molecular FormulaC7H7ClF2N2O
Molecular Weight208.59 g/mol
Exact Mass208.02
IUPAC Name4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one
SMILESNCc1c(C(F)F)c[nH]c(=O)c1Cl
InChIInChI=1S/C7H7ClF2N2O/c8-5-3(1-11)4(6(9)10)2-12-7(5)13/h2,6H,1,11H2,(H,12,13)
InChIKeyDUBIVWVEWKSXLJ-UHFFFAOYSA-N
XLogP1.42
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 725436
3-Chloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridin-2(1H)-one
CID 118065026
5-[chloro(difluoro)methyl]-1H-pyridin-2-one
CID 2315451
3,5-Dichloro-4-trifluoromethyl-pyridin-2-OL
CID 13851616
4-amino-3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one
CID 69883344
2-Hydroxy-3-chloro-4-methyl-5-trifluoromethylpyridine
CID 69883431
3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide
CID 89449841
3-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one
CID 118912143
3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane
CID 158517242
5-chloro-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 175992307
4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 105445628
4-Chloro-5-(difluoromethyl)-3-iodopyridin-2-ol
CID 118799967

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one (CID 118835539) is 4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one is NCc1c(C(F)F)c[nH]c(=O)c1Cl.
What is the InChIKey of 4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is DUBIVWVEWKSXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O/c8-5-3(1-11)4(6(9)10)2-12-7(5)13/h2,6H,1,11H2,(H,12,13).
What are the key properties of 4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one?
4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 208.59 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-5-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118835539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).