ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate

C18H24FNO2 — CID 91145440

IUPACethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
SMILESCC.CC.COC(=O)c1cnccc1Cc1cccc(F)c1
InChIInChI=1S/C14H12FNO2.2C2H6/c1-18-14(17)13-9-16-6-5-11(13)7-10-3-2-4-12(15)8-10;2*1-2/h2-6,8-9H,7H2,1H3;2*1-2H3
InChIKeyTZNOTOFXQZHGPS-UHFFFAOYSA-N
MW305.39 g/mol
LogP4.65
Rot. Bonds3

About ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate

ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate (PubChem CID 91145440) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
PubChem CID91145440
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Nameethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
SMILESCC.CC.COC(=O)c1cnccc1Cc1cccc(F)c1
InChIInChI=1S/C14H12FNO2.2C2H6/c1-18-14(17)13-9-16-6-5-11(13)7-10-3-2-4-12(15)8-10;2*1-2/h2-6,8-9H,7H2,1H3;2*1-2H3
InChIKeyTZNOTOFXQZHGPS-UHFFFAOYSA-N
XLogP4.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate
CID 54547746
methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate
CID 67973755
ethane;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91575193
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
CID 159508230
CID 159508230
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707552
2-(3-fluorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 154859403
methyl 3-cyano-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxylate
CID 175897890
methyl 4-[(3-fluorophenyl)methyl]isoquinoline-3-carboxylate
CID 67248979
methyl 4-tridecylpyridine-3-carboxylate
CID 135057818
4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide
CID 11459527
methyl 2-[(3-chloro-5-fluorophenyl)methyl]benzoate
CID 91178796

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate?
The IUPAC name of ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate (CID 91145440) is ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate.
What is the SMILES notation for ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate?
The canonical SMILES for ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate is CC.CC.COC(=O)c1cnccc1Cc1cccc(F)c1.
What is the InChIKey of ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate?
The InChIKey is TZNOTOFXQZHGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2.2C2H6/c1-18-14(17)13-9-16-6-5-11(13)7-10-3-2-4-12(15)8-10;2*1-2/h2-6,8-9H,7H2,1H3;2*1-2H3.
What are the key properties of ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate?
ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate has a molecular weight of 305.39 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 91145440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).