(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone

C14H11ClN2O — CID 66462242

IUPAC(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccncc1Cl)N1CCc2ccccc21
InChIInChI=1S/C14H11ClN2O/c15-12-9-16-7-5-11(12)14(18)17-8-6-10-3-1-2-4-13(10)17/h1-5,7,9H,6,8H2
InChIKeyDAYMEVXVAYHBMZ-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.94
Rot. Bonds1

About (3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone

(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 66462242) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID66462242
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccncc1Cl)N1CCc2ccccc21
InChIInChI=1S/C14H11ClN2O/c15-12-9-16-7-5-11(12)14(18)17-8-6-10-3-1-2-4-13(10)17/h1-5,7,9H,6,8H2
InChIKeyDAYMEVXVAYHBMZ-UHFFFAOYSA-N
XLogP2.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
(3-chloro-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103714816
(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77115317
(3-chloro-4-pyridinyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 66484542
(3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 66483310
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66462390
[5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 114921920
(2-chlorofuran-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 106685283
3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone
CID 105068094
(4-chloro-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103872831
2,3-dihydroindol-1-yl(imidazo[1,2-a]pyridin-8-yl)methanone
CID 110704438
(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16795435

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone (CID 66462242) is (3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccncc1Cl)N1CCc2ccccc21.
What is the InChIKey of (3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is DAYMEVXVAYHBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-12-9-16-7-5-11(12)14(18)17-8-6-10-3-1-2-4-13(10)17/h1-5,7,9H,6,8H2.
What are the key properties of (3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone?
(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 258.71 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 66462242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).