CID 172866092

C10H10FNNa2O5 — CID 172866092

IUPAC—
SMILESCOC(=O)CC(=O)Oc1cc(OC)ncc1F.[Na].[Na]
InChIInChI=1S/C10H10FNO5.2Na/c1-15-8-3-7(6(11)5-12-8)17-10(14)4-9(13)16-2;;/h3,5H,4H2,1-2H3;;
InChIKeyZZYXRMBPGRDZPO-UHFFFAOYSA-N
MW289.17 g/mol
LogP-0.06
Rot. Bonds4

About CID 172866092

CID 172866092 (PubChem CID 172866092) has the molecular formula C10H10FNNa2O5 and a molecular weight of 289.17 g/mol.

Molecular Properties

Compound NameCID 172866092
PubChem CID172866092
Molecular FormulaC10H10FNNa2O5
Molecular Weight289.17 g/mol
Exact Mass289.03
IUPAC Name—
SMILESCOC(=O)CC(=O)Oc1cc(OC)ncc1F.[Na].[Na]
InChIInChI=1S/C10H10FNO5.2Na/c1-15-8-3-7(6(11)5-12-8)17-10(14)4-9(13)16-2;;/h3,5H,4H2,1-2H3;;
InChIKeyZZYXRMBPGRDZPO-UHFFFAOYSA-N
XLogP-0.06
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid
CID 130560472
5-fluoro-2-methoxy-4-methylsulfanylpyridine
CID 147316298
2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one
CID 171632811
2-(4,6-dimethoxy-3-pyridinyl)propanoic acid
CID 84781510
4-fluoro-6-methoxypyridine-3-carbaldehyde
CID 118434403
4,6-dimethoxypyridine-3-carboxylic acid
CID 69266328
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518
methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate
CID 131118984
methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 170909839
methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate
CID 11333606
methyl 2-ethoxy-5-fluoropyridine-4-carboxylate
CID 118989859
2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 118800669

Frequently Asked Questions

What is the IUPAC name of CID 172866092?
The IUPAC name of CID 172866092 (CID 172866092) is not available.
What is the SMILES notation for CID 172866092?
The canonical SMILES for CID 172866092 is COC(=O)CC(=O)Oc1cc(OC)ncc1F.[Na].[Na].
What is the InChIKey of CID 172866092?
The InChIKey is ZZYXRMBPGRDZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO5.2Na/c1-15-8-3-7(6(11)5-12-8)17-10(14)4-9(13)16-2;;/h3,5H,4H2,1-2H3;;.
What are the key properties of CID 172866092?
CID 172866092 has a molecular weight of 289.17 g/mol, XLogP of -0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172866092 is sourced from PubChem (CID 172866092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).