methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate

C14H12FNO3 — CID 176652584

IUPACmethyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate
SMILESCOC(=O)c1ccccc1C(O)c1ncccc1F
InChIInChI=1S/C14H12FNO3/c1-19-14(18)10-6-3-2-5-9(10)13(17)12-11(15)7-4-8-16-12/h2-8,13,17H,1H3
InChIKeyCGCIFWDJFQWYPQ-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.09
Rot. Bonds3

About methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate

methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate (PubChem CID 176652584) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate
PubChem CID176652584
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namemethyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate
SMILESCOC(=O)c1ccccc1C(O)c1ncccc1F
InChIInChI=1S/C14H12FNO3/c1-19-14(18)10-6-3-2-5-9(10)13(17)12-11(15)7-4-8-16-12/h2-8,13,17H,1H3
InChIKeyCGCIFWDJFQWYPQ-UHFFFAOYSA-N
XLogP2.09
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-aminoethyl)pyridine-3-carboxylate
CID 105438637
methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate
CID 155255146
methyl 5-fluoroquinoline-6-carboxylate
CID 118665149
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
methyl 2-[(1S)-1-aminoethyl]benzoate
CID 130987830
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate
CID 156875680
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
CID 87392386
CID 87392386
methyl 2-(2-oxo-1-trimethylsilylpropyl)benzoate
CID 174909112
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 8-fluoroquinoline-7-carboxylate
CID 169130767

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate?
The IUPAC name of methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate (CID 176652584) is methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate.
What is the SMILES notation for methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate?
The canonical SMILES for methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate is COC(=O)c1ccccc1C(O)c1ncccc1F.
What is the InChIKey of methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate?
The InChIKey is CGCIFWDJFQWYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-19-14(18)10-6-3-2-5-9(10)13(17)12-11(15)7-4-8-16-12/h2-8,13,17H,1H3.
What are the key properties of methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate?
methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate has a molecular weight of 261.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate is sourced from PubChem (CID 176652584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).