ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate

C12H13FN4O2 — CID 140636179

IUPACethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate
SMILESCCOC(=O)Nn1cc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C12H13FN4O2/c1-3-19-12(18)16-17-7-11(15-8(17)2)9-4-10(13)6-14-5-9/h4-7H,3H2,1-2H3,(H,16,18)
InChIKeyCNXMUEDUAKZATI-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.09
Rot. Bonds3

About ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate

ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate (PubChem CID 140636179) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate
PubChem CID140636179
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Nameethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate
SMILESCCOC(=O)Nn1cc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C12H13FN4O2/c1-3-19-12(18)16-17-7-11(15-8(17)2)9-4-10(13)6-14-5-9/h4-7H,3H2,1-2H3,(H,16,18)
InChIKeyCNXMUEDUAKZATI-UHFFFAOYSA-N
XLogP2.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl] N-methylcarbamate
CID 140636183
[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]-methylcarbamic acid
CID 67499798
methyl 2-[[5-(5-fluoro-3-pyridinyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetate
CID 170443379
ethyl 3-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-1-methylpyrazole-5-carboxylate
CID 66633572
2-[[5-(5-fluoro-3-pyridinyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetic acid
CID 170443389
ethyl 5-[5-fluoro-3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-1,2-dimethylpyrrole-3-carboxylate
CID 176718672
2-chloroethyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 118978089
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
6-(5-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 114080787
6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine
CID 91311882
ethyl 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)pyridine-3-carboxylate
CID 142580915
N-[5-(5-fluoro-3-pyridinyl)-3-methylpyrazin-2-yl]-3-methoxypropanamide
CID 138496629

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate?
The IUPAC name of ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate (CID 140636179) is ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate.
What is the SMILES notation for ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate?
The canonical SMILES for ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate is CCOC(=O)Nn1cc(-c2cncc(F)c2)nc1C.
What is the InChIKey of ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate?
The InChIKey is CNXMUEDUAKZATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-3-19-12(18)16-17-7-11(15-8(17)2)9-4-10(13)6-14-5-9/h4-7H,3H2,1-2H3,(H,16,18).
What are the key properties of ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate?
ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate has a molecular weight of 264.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(5-fluoro-3-pyridinyl)-2-methylimidazol-1-yl]carbamate is sourced from PubChem (CID 140636179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).