4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile

C15H11BrN2 — CID 151202511

IUPAC4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc3c(c2Br)CCC3)ccn1
InChIInChI=1S/C15H11BrN2/c16-15-13-3-1-2-10(13)4-5-14(15)11-6-7-18-12(8-11)9-17/h4-8H,1-3H2
InChIKeyNIPGSAOTCWGSSJ-UHFFFAOYSA-N
MW299.17 g/mol
LogP3.87
Rot. Bonds1

About 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile

4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile (PubChem CID 151202511) has the molecular formula C15H11BrN2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile
PubChem CID151202511
Molecular FormulaC15H11BrN2
Molecular Weight299.17 g/mol
Exact Mass298.01
IUPAC Name4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc3c(c2Br)CCC3)ccn1
InChIInChI=1S/C15H11BrN2/c16-15-13-3-1-2-10(13)4-5-14(15)11-6-7-18-12(8-11)9-17/h4-8H,1-3H2
InChIKeyNIPGSAOTCWGSSJ-UHFFFAOYSA-N
XLogP3.87
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4,6-bis[4-(2-cyano-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridine-2-carbonitrile
CID 118397929
tert-butyl 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetate;2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid
CID 159404807
N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-5-oxo-4-propan-2-ylpyrazine-2-sulfonamide
CID 142529272
sodium;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;hydride
CID 175340147
4-(2-hydroxyphenyl)pyridine-2-carbonitrile
CID 136982033
4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyridine-2-carbonitrile
CID 118397477
4-(5-bromofuran-2-yl)pyridine-2-carbonitrile
CID 90318369
N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide
CID 142588016
5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
CID 146388613
4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile
CID 118398019
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]pyridine-2-carbonitrile
CID 118397460
4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524634

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile (CID 151202511) is 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile is N#Cc1cc(-c2ccc3c(c2Br)CCC3)ccn1.
What is the InChIKey of 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile?
The InChIKey is NIPGSAOTCWGSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2/c16-15-13-3-1-2-10(13)4-5-14(15)11-6-7-18-12(8-11)9-17/h4-8H,1-3H2.
What are the key properties of 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile?
4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile has a molecular weight of 299.17 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 151202511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).