(2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone

C19H12FN3O — CID 135025205

IUPAC(2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
SMILESO=C(c1ccccc1F)c1cc2ccccc2n1-c1ncccn1
InChIInChI=1S/C19H12FN3O/c20-15-8-3-2-7-14(15)18(24)17-12-13-6-1-4-9-16(13)23(17)19-21-10-5-11-22-19/h1-12H
InChIKeyXDCXAAXKRNNHOA-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.79
Rot. Bonds3

About (2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone

(2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone (PubChem CID 135025205) has the molecular formula C19H12FN3O and a molecular weight of 317.32 g/mol. Its IUPAC name is (2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
PubChem CID135025205
Molecular FormulaC19H12FN3O
Molecular Weight317.32 g/mol
Exact Mass317.10
IUPAC Name(2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
SMILESO=C(c1ccccc1F)c1cc2ccccc2n1-c1ncccn1
InChIInChI=1S/C19H12FN3O/c20-15-8-3-2-7-14(15)18(24)17-12-13-6-1-4-9-16(13)23(17)19-21-10-5-11-22-19/h1-12H
InChIKeyXDCXAAXKRNNHOA-UHFFFAOYSA-N
XLogP3.79
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 135025830
(3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 154713295
(2-fluorophenyl)-quinolin-7-ylmethanone
CID 81220480
(5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone
CID 71560087
(2-fluorophenyl)-(2-hydroxypyrazol-3-yl)methanone
CID 101167756
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
dimethyl 2-(1-pyrimidin-2-ylindol-2-yl)propanedioate
CID 132564908
tert-butyl (E)-3-(1-pyrimidin-2-ylindol-2-yl)prop-2-enoate
CID 102233930
(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
CID 116560369
1-[5-(1-pyrimidin-2-ylindol-2-yl)thiophen-2-yl]ethanone
CID 102106744
5-(2-fluorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 84728759
(2-fluorophenyl)-[2-(triazol-2-yl)phenyl]methanone
CID 102227880

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone (CID 135025205) is (2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone is O=C(c1ccccc1F)c1cc2ccccc2n1-c1ncccn1.
What is the InChIKey of (2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The InChIKey is XDCXAAXKRNNHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O/c20-15-8-3-2-7-14(15)18(24)17-12-13-6-1-4-9-16(13)23(17)19-21-10-5-11-22-19/h1-12H.
What are the key properties of (2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
(2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone has a molecular weight of 317.32 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone is sourced from PubChem (CID 135025205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).