(6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone

C13H12ClFN2O — CID 162765688

IUPAC(6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1c[nH]c2cc(Cl)c(F)cc12)C1CCCN1
InChIInChI=1S/C13H12ClFN2O/c14-9-5-12-7(4-10(9)15)8(6-17-12)13(18)11-2-1-3-16-11/h4-6,11,16-17H,1-3H2
InChIKeyHEYGKRDNXMSFTD-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.90
Rot. Bonds2

About (6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone

(6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone (PubChem CID 162765688) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is (6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
PubChem CID162765688
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name(6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
SMILESO=C(c1c[nH]c2cc(Cl)c(F)cc12)C1CCCN1
InChIInChI=1S/C13H12ClFN2O/c14-9-5-12-7(4-10(9)15)8(6-17-12)13(18)11-2-1-3-16-11/h4-6,11,16-17H,1-3H2
InChIKeyHEYGKRDNXMSFTD-UHFFFAOYSA-N
XLogP2.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 64866390
(6-chloro-1H-indol-3-yl)-piperidin-2-ylmethanone
CID 64867873
(5-iodo-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 162765620
(2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 105396376
(4,6-dimethyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 84630313
(2-fluorophenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 89281976
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881
[2-chloro-4,5-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82551487
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
(2-amino-5-chloro-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547814
7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 614308
(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 82551437

Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone (CID 162765688) is (6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone is O=C(c1c[nH]c2cc(Cl)c(F)cc12)C1CCCN1.
What is the InChIKey of (6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is HEYGKRDNXMSFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-9-5-12-7(4-10(9)15)8(6-17-12)13(18)11-2-1-3-16-11/h4-6,11,16-17H,1-3H2.
What are the key properties of (6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone?
(6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 266.70 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-fluoro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 162765688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).