(3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate

C13H11ClFNO3 — CID 18122924

IUPAC(3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate
SMILESCOc1ccc(COC(=O)c2cc(Cl)c[nH]2)cc1F
InChIInChI=1S/C13H11ClFNO3/c1-18-12-3-2-8(4-10(12)15)7-19-13(17)11-5-9(14)6-16-11/h2-6,16H,7H2,1H3
InChIKeyWIWWTIILOJJRBN-UHFFFAOYSA-N
MW283.69 g/mol
LogP3.17
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate

(3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate (PubChem CID 18122924) has the molecular formula C13H11ClFNO3 and a molecular weight of 283.69 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate
PubChem CID18122924
Molecular FormulaC13H11ClFNO3
Molecular Weight283.69 g/mol
Exact Mass283.04
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate
SMILESCOc1ccc(COC(=O)c2cc(Cl)c[nH]2)cc1F
InChIInChI=1S/C13H11ClFNO3/c1-18-12-3-2-8(4-10(12)15)7-19-13(17)11-5-9(14)6-16-11/h2-6,16H,7H2,1H3
InChIKeyWIWWTIILOJJRBN-UHFFFAOYSA-N
XLogP3.17
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methoxyphenyl)methyl 2-amino-4-chlorobenzoate
CID 60643048
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629800
(3-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 115279805
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate
CID 2627760
(3-fluoro-4-methoxyphenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7752969
(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate
CID 7785264
(3-fluoro-4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576074
(3-fluoro-4-methoxyphenyl)methyl 3-methylsulfonylbenzoate
CID 18082239
(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
CID 7221984
(3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate
CID 8553467

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate (CID 18122924) is (3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate is COc1ccc(COC(=O)c2cc(Cl)c[nH]2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate?
The InChIKey is WIWWTIILOJJRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3/c1-18-12-3-2-8(4-10(12)15)7-19-13(17)11-5-9(14)6-16-11/h2-6,16H,7H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate?
(3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate has a molecular weight of 283.69 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 4-chloro-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 18122924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).