2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole

C17H14F2N2 — CID 177434344

IUPAC2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole
SMILESCc1c(CC=C(F)F)n(-c2ccccn2)c2ccccc12
InChIInChI=1S/C17H14F2N2/c1-12-13-6-2-3-7-15(13)21(14(12)9-10-16(18)19)17-8-4-5-11-20-17/h2-8,10-11H,9H2,1H3
InChIKeyPWXVRVZTPMQMQM-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.66
Rot. Bonds3

About 2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole

2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole (PubChem CID 177434344) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole.

Molecular Properties

Compound Name2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole
PubChem CID177434344
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole
SMILESCc1c(CC=C(F)F)n(-c2ccccn2)c2ccccc12
InChIInChI=1S/C17H14F2N2/c1-12-13-6-2-3-7-15(13)21(14(12)9-10-16(18)19)17-8-4-5-11-20-17/h2-8,10-11H,9H2,1H3
InChIKeyPWXVRVZTPMQMQM-UHFFFAOYSA-N
XLogP4.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-[2-(3-methyl-1-pyridin-2-ylindol-2-yl)ethyl]silane
CID 71654105
3-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole
CID 138963070
1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol
CID 156695044
methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate
CID 132539705
9-pyridin-2-ylcarbazol-3-amine
CID 135208084
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670
2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde
CID 177435439
9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 89017135
3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 135198280
6-iodo-9-pyridin-2-ylpyrido[2,3-b]indole
CID 134576120
2,7-dimethyl-9-pyridin-2-ylcarbazole
CID 59557260
9-phenyl-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038408

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole?
The IUPAC name of 2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole (CID 177434344) is 2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole.
What is the SMILES notation for 2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole?
The canonical SMILES for 2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole is Cc1c(CC=C(F)F)n(-c2ccccn2)c2ccccc12.
What is the InChIKey of 2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole?
The InChIKey is PWXVRVZTPMQMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c1-12-13-6-2-3-7-15(13)21(14(12)9-10-16(18)19)17-8-4-5-11-20-17/h2-8,10-11H,9H2,1H3.
What are the key properties of 2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole?
2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole has a molecular weight of 284.31 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole is sourced from PubChem (CID 177434344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).