disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride

C7H6Cl2FNNa2O2 — CID 172849137

IUPACdisodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
SMILESCOC(=O)c1cc(F)ccn1.[Cl-].[Cl-].[Na+].[Na+]
InChIInChI=1S/C7H6FNO2.2ClH.2Na/c1-11-7(10)6-4-5(8)2-3-9-6;;;;/h2-4H,1H3;2*1H;;/q;;;2*+1/p-2
InChIKeyXVFOMZWVLJWYIR-UHFFFAOYSA-L
MW272.01 g/mol
LogP-10.98
Rot. Bonds1

About disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride

disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride (PubChem CID 172849137) has the molecular formula C7H6Cl2FNNa2O2 and a molecular weight of 272.01 g/mol. Its IUPAC name is disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride.

Molecular Properties

Compound Namedisodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
PubChem CID172849137
Molecular FormulaC7H6Cl2FNNa2O2
Molecular Weight272.01 g/mol
Exact Mass270.96
IUPAC Namedisodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
SMILESCOC(=O)c1cc(F)ccn1.[Cl-].[Cl-].[Na+].[Na+]
InChIInChI=1S/C7H6FNO2.2ClH.2Na/c1-11-7(10)6-4-5(8)2-3-9-6;;;;/h2-4H,1H3;2*1H;;/q;;;2*+1/p-2
InChIKeyXVFOMZWVLJWYIR-UHFFFAOYSA-L
XLogP-10.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.01
LogP ≤ 5-10.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate
CID 66285458
ethene;methyl 4-aminopyridine-2-carboxylate
CID 177218086
methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
CID 139348053
methyl 4-(3-bromo-5-fluorophenoxy)pyridine-2-carboxylate
CID 81332451
methyl 4-dimethylphosphorylpyridine-2-carboxylate
CID 155970992
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate
CID 134638044
methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 117222258

Frequently Asked Questions

What is the IUPAC name of disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride?
The IUPAC name of disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride (CID 172849137) is disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride.
What is the SMILES notation for disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride?
The canonical SMILES for disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride is COC(=O)c1cc(F)ccn1.[Cl-].[Cl-].[Na+].[Na+].
What is the InChIKey of disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride?
The InChIKey is XVFOMZWVLJWYIR-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6FNO2.2ClH.2Na/c1-11-7(10)6-4-5(8)2-3-9-6;;;;/h2-4H,1H3;2*1H;;/q;;;2*+1/p-2.
What are the key properties of disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride?
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride has a molecular weight of 272.01 g/mol, XLogP of -10.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride is sourced from PubChem (CID 172849137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).