6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide

C9H10F2N2O2 — CID 123152509

IUPAC6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide
SMILESCOC(c1ccc(C(N)=O)cn1)C(F)F
InChIInChI=1S/C9H10F2N2O2/c1-15-7(8(10)11)6-3-2-5(4-13-6)9(12)14/h2-4,7-8H,1H3,(H2,12,14)
InChIKeyWJCBRZRPIUWACV-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.13
Rot. Bonds4

About 6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide

6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide (PubChem CID 123152509) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide
PubChem CID123152509
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide
SMILESCOC(c1ccc(C(N)=O)cn1)C(F)F
InChIInChI=1S/C9H10F2N2O2/c1-15-7(8(10)11)6-3-2-5(4-13-6)9(12)14/h2-4,7-8H,1H3,(H2,12,14)
InChIKeyWJCBRZRPIUWACV-UHFFFAOYSA-N
XLogP1.13
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-propan-2-ylpyridine-3-carboxamide
CID 821161
6-[(1R)-1-ethoxyethyl]pyridine-3-carboxamide
CID 135044920
6-(methoxymethyl)pyridine-3-carboxamide
CID 23130505
6-(2-methoxypropylamino)pyridine-3-carboxamide
CID 102699145
4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide
CID 83123833
6-methylsulfinylpyridine-3-carboxamide
CID 119092995
6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
CID 131354217
methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride
CID 146048625
6-prop-1-en-2-ylpyridine-3-carboxamide
CID 123173194
6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide
CID 141333563

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide (CID 123152509) is 6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide is COC(c1ccc(C(N)=O)cn1)C(F)F.
What is the InChIKey of 6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is WJCBRZRPIUWACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-15-7(8(10)11)6-3-2-5(4-13-6)9(12)14/h2-4,7-8H,1H3,(H2,12,14).
What are the key properties of 6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide?
6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 216.19 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoro-1-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 123152509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).