3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride

C6H6ClF2NO — CID 131699668

IUPAC3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride
SMILESCl.O=c1cc[nH]cc1C(F)F
InChIInChI=1S/C6H5F2NO.ClH/c7-6(8)4-3-9-2-1-5(4)10;/h1-3,6H,(H,9,10);1H
InChIKeyWJHQRJZMLTUDMK-UHFFFAOYSA-N
MW181.57 g/mol
LogP1.73
Rot. Bonds1

About 3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride

3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride (PubChem CID 131699668) has the molecular formula C6H6ClF2NO and a molecular weight of 181.57 g/mol. Its IUPAC name is 3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride
PubChem CID131699668
Molecular FormulaC6H6ClF2NO
Molecular Weight181.57 g/mol
Exact Mass181.01
IUPAC Name3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride
SMILESCl.O=c1cc[nH]cc1C(F)F
InChIInChI=1S/C6H5F2NO.ClH/c7-6(8)4-3-9-2-1-5(4)10;/h1-3,6H,(H,9,10);1H
InChIKeyWJHQRJZMLTUDMK-UHFFFAOYSA-N
XLogP1.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.57
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one
CID 130706241
2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanenitrile
CID 171869739
5-(difluoromethyl)-2-(fluoromethyl)-1H-pyridin-4-one
CID 130097101
4-oxo-1H-pyridine-3-sulfonate
CID 7365266
4-(difluoromethyl)-1H-pyrrole-3-carboxamide
CID 145390073
4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
CID 106293636
3-propyl-1H-pyridin-4-one
CID 146175162
(4-oxo-1H-pyridine-3-carbonyl)azanide;tungsten
CID 59942200
3-chloro-4-(difluoromethyl)-1H-pyridin-2-one
CID 130095415
2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 46737876
3-tert-butylsulfonyl-1H-pyridin-4-one
CID 54484408
3-(1H-pyrrol-2-yl)-1H-pyridin-4-one
CID 91573710

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride?
The IUPAC name of 3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride (CID 131699668) is 3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride.
What is the SMILES notation for 3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride?
The canonical SMILES for 3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride is Cl.O=c1cc[nH]cc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride?
The InChIKey is WJHQRJZMLTUDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO.ClH/c7-6(8)4-3-9-2-1-5(4)10;/h1-3,6H,(H,9,10);1H.
What are the key properties of 3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride?
3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride has a molecular weight of 181.57 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1H-pyridin-4-one;hydrochloride is sourced from PubChem (CID 131699668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).