5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine

C14H14ClN3 — CID 114285823

IUPAC5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine
SMILESNc1cncc(Cl)c1Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H14ClN3/c15-12-7-17-8-13(16)14(12)18-11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3,16H2,(H,17,18)
InChIKeySGAOPZOVUGKCKR-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.55
Rot. Bonds2

About 5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine

5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine (PubChem CID 114285823) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine
PubChem CID114285823
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine
SMILESNc1cncc(Cl)c1Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H14ClN3/c15-12-7-17-8-13(16)14(12)18-11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3,16H2,(H,17,18)
InChIKeySGAOPZOVUGKCKR-UHFFFAOYSA-N
XLogP3.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine?
The IUPAC name of 5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine (CID 114285823) is 5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine is Nc1cncc(Cl)c1Nc1ccc2c(c1)CCC2.
What is the InChIKey of 5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine?
The InChIKey is SGAOPZOVUGKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-12-7-17-8-13(16)14(12)18-11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3,16H2,(H,17,18).
What are the key properties of 5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine?
5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine has a molecular weight of 259.74 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3,4-diamine is sourced from PubChem (CID 114285823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).