ethane;pyridine-2-carbonyl fluoride

C10H16FNO — CID 161184414

IUPACethane;pyridine-2-carbonyl fluoride
SMILESCC.CC.O=C(F)c1ccccn1
InChIInChI=1S/C6H4FNO.2C2H6/c7-6(9)5-3-1-2-4-8-5;2*1-2/h1-4H;2*1-2H3
InChIKeyUSWXOXWIAJULKE-UHFFFAOYSA-N
MW185.24 g/mol
LogP3.24
Rot. Bonds1

About ethane;pyridine-2-carbonyl fluoride

ethane;pyridine-2-carbonyl fluoride (PubChem CID 161184414) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is ethane;pyridine-2-carbonyl fluoride.

Molecular Properties

Compound Nameethane;pyridine-2-carbonyl fluoride
PubChem CID161184414
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Nameethane;pyridine-2-carbonyl fluoride
SMILESCC.CC.O=C(F)c1ccccn1
InChIInChI=1S/C6H4FNO.2C2H6/c7-6(9)5-3-1-2-4-8-5;2*1-2/h1-4H;2*1-2H3
InChIKeyUSWXOXWIAJULKE-UHFFFAOYSA-N
XLogP3.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;pyridine-2-carbonyl chloride
CID 158598971
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
ethane;molecular hydrogen;pyridine-2-carboxamide
CID 145071770
gadolinium;pyridine-2-carboxylic acid
CID 175231422
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
hafnium;pyridine-2-carboxylic acid
CID 175130925
phosphanyl(pyridin-2-yl)methanone
CID 89397457
pyridine-2-carbothioic S-acid
CID 158789814
europium;pyridine-2-carboxylic acid
CID 174808227

Frequently Asked Questions

What is the IUPAC name of ethane;pyridine-2-carbonyl fluoride?
The IUPAC name of ethane;pyridine-2-carbonyl fluoride (CID 161184414) is ethane;pyridine-2-carbonyl fluoride.
What is the SMILES notation for ethane;pyridine-2-carbonyl fluoride?
The canonical SMILES for ethane;pyridine-2-carbonyl fluoride is CC.CC.O=C(F)c1ccccn1.
What is the InChIKey of ethane;pyridine-2-carbonyl fluoride?
The InChIKey is USWXOXWIAJULKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO.2C2H6/c7-6(9)5-3-1-2-4-8-5;2*1-2/h1-4H;2*1-2H3.
What are the key properties of ethane;pyridine-2-carbonyl fluoride?
ethane;pyridine-2-carbonyl fluoride has a molecular weight of 185.24 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyridine-2-carbonyl fluoride is sourced from PubChem (CID 161184414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).