3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine

C14H12BrClN2 — CID 114983465

IUPAC3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
SMILESClC1Cc2ccccc2C1Nc1ccncc1Br
InChIInChI=1S/C14H12BrClN2/c15-11-8-17-6-5-13(11)18-14-10-4-2-1-3-9(10)7-12(14)16/h1-6,8,12,14H,7H2,(H,17,18)
InChIKeyGAVYZTLDCCBULZ-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.16
Rot. Bonds2

About 3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine

3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine (PubChem CID 114983465) has the molecular formula C14H12BrClN2 and a molecular weight of 323.62 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
PubChem CID114983465
Molecular FormulaC14H12BrClN2
Molecular Weight323.62 g/mol
Exact Mass321.99
IUPAC Name3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
SMILESClC1Cc2ccccc2C1Nc1ccncc1Br
InChIInChI=1S/C14H12BrClN2/c15-11-8-17-6-5-13(11)18-14-10-4-2-1-3-9(10)7-12(14)16/h1-6,8,12,14H,7H2,(H,17,18)
InChIKeyGAVYZTLDCCBULZ-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-4-amine
CID 104777001
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine
CID 65028225
2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 65024916
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine
CID 65277345
5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 65032345
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyrimidin-4-amine
CID 65028479
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine
CID 65028581
N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine
CID 130909438
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine
CID 115975685
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65028482
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine (CID 114983465) is 3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine is ClC1Cc2ccccc2C1Nc1ccncc1Br.
What is the InChIKey of 3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine?
The InChIKey is GAVYZTLDCCBULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2/c15-11-8-17-6-5-13(11)18-14-10-4-2-1-3-9(10)7-12(14)16/h1-6,8,12,14H,7H2,(H,17,18).
What are the key properties of 3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine?
3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine has a molecular weight of 323.62 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine is sourced from PubChem (CID 114983465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).