5-(1,1-difluoroethyl)pyridine-3-carboxamide

C8H8F2N2O — CID 170579428

IUPAC5-(1,1-difluoroethyl)pyridine-3-carboxamide
SMILESCC(F)(F)c1cncc(C(N)=O)c1
InChIInChI=1S/C8H8F2N2O/c1-8(9,10)6-2-5(7(11)13)3-12-4-6/h2-4H,1H3,(H2,11,13)
InChIKeyBDYSKUJBCQUBPN-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.29
Rot. Bonds2

About 5-(1,1-difluoroethyl)pyridine-3-carboxamide

5-(1,1-difluoroethyl)pyridine-3-carboxamide (PubChem CID 170579428) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)pyridine-3-carboxamide
PubChem CID170579428
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name5-(1,1-difluoroethyl)pyridine-3-carboxamide
SMILESCC(F)(F)c1cncc(C(N)=O)c1
InChIInChI=1S/C8H8F2N2O/c1-8(9,10)6-2-5(7(11)13)3-12-4-6/h2-4H,1H3,(H2,11,13)
InChIKeyBDYSKUJBCQUBPN-UHFFFAOYSA-N
XLogP1.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotinamide
CID 936
Flonicamid
CID 9834513
3-Acetylpyridine
CID 9589
N,N-Diethylnicotinamide
CID 5497
Nicotinohydroxamic acid
CID 71211
N'-Methylnicotinamide
CID 64950
1-Methylnicotinamide
CID 457
4-Trifluoromethylnicotinamide
CID 2782643
Nicotinamide N-oxide
CID 72661
N-Ethylnicotinamide
CID 78007
5-Bromonicotinamide
CID 1808
Nicotinic acid, hydrazide
CID 11112

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(1,1-difluoroethyl)pyridine-3-carboxamide (CID 170579428) is 5-(1,1-difluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(1,1-difluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(1,1-difluoroethyl)pyridine-3-carboxamide is CC(F)(F)c1cncc(C(N)=O)c1.
What is the InChIKey of 5-(1,1-difluoroethyl)pyridine-3-carboxamide?
The InChIKey is BDYSKUJBCQUBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c1-8(9,10)6-2-5(7(11)13)3-12-4-6/h2-4H,1H3,(H2,11,13).
What are the key properties of 5-(1,1-difluoroethyl)pyridine-3-carboxamide?
5-(1,1-difluoroethyl)pyridine-3-carboxamide has a molecular weight of 186.16 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 170579428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).