(3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone

C17H14ClFN2O2 — CID 164867663

IUPAC(3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone
SMILESCCc1c(C(=O)c2cc(F)c(O)c(Cl)c2)c2ccncc2n1C
InChIInChI=1S/C17H14ClFN2O2/c1-3-13-15(10-4-5-20-8-14(10)21(13)2)16(22)9-6-11(18)17(23)12(19)7-9/h4-8,23H,3H2,1-2H3
InChIKeyQJKYJBFTEVEKRB-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.86
Rot. Bonds3

About (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone

(3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone (PubChem CID 164867663) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone
PubChem CID164867663
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name(3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone
SMILESCCc1c(C(=O)c2cc(F)c(O)c(Cl)c2)c2ccncc2n1C
InChIInChI=1S/C17H14ClFN2O2/c1-3-13-15(10-4-5-20-8-14(10)21(13)2)16(22)9-6-11(18)17(23)12(19)7-9/h4-8,23H,3H2,1-2H3
InChIKeyQJKYJBFTEVEKRB-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone?
The IUPAC name of (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone (CID 164867663) is (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone.
What is the SMILES notation for (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone?
The canonical SMILES for (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone is CCc1c(C(=O)c2cc(F)c(O)c(Cl)c2)c2ccncc2n1C.
What is the InChIKey of (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone?
The InChIKey is QJKYJBFTEVEKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-3-13-15(10-4-5-20-8-14(10)21(13)2)16(22)9-6-11(18)17(23)12(19)7-9/h4-8,23H,3H2,1-2H3.
What are the key properties of (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone?
(3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone has a molecular weight of 332.76 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluoro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-c]pyridin-3-yl)methanone is sourced from PubChem (CID 164867663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).