7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine

C18H12BrClN2 — CID 159400547

IUPAC7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine
SMILESClc1nc(Cc2cccnc2)cc2c1-c1ccc(Br)cc1C2
InChIInChI=1S/C18H12BrClN2/c19-14-3-4-16-12(8-14)7-13-9-15(22-18(20)17(13)16)6-11-2-1-5-21-10-11/h1-5,8-10H,6-7H2
InChIKeyLNGZTGOYQXKCEI-UHFFFAOYSA-N
MW371.67 g/mol
LogP5.05
Rot. Bonds2

About 7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine

7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine (PubChem CID 159400547) has the molecular formula C18H12BrClN2 and a molecular weight of 371.67 g/mol. Its IUPAC name is 7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine.

Molecular Properties

Compound Name7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine
PubChem CID159400547
Molecular FormulaC18H12BrClN2
Molecular Weight371.67 g/mol
Exact Mass369.99
IUPAC Name7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine
SMILESClc1nc(Cc2cccnc2)cc2c1-c1ccc(Br)cc1C2
InChIInChI=1S/C18H12BrClN2/c19-14-3-4-16-12(8-14)7-13-9-15(22-18(20)17(13)16)6-11-2-1-5-21-10-11/h1-5,8-10H,6-7H2
InChIKeyLNGZTGOYQXKCEI-UHFFFAOYSA-N
XLogP5.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.67
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 161470706
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine
CID 102752752
3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine
CID 121269348
4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine
CID 80550393
5,9-dibromo-7H-benzo[c]fluorene
CID 135397549
5-bromo-3-(pyridin-3-ylmethyl)-1H-indole
CID 18940837
1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
CID 105034465
5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine
CID 79431669
3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine
CID 104737129
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529
1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105181723

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine?
The IUPAC name of 7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine (CID 159400547) is 7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine.
What is the SMILES notation for 7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine?
The canonical SMILES for 7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine is Clc1nc(Cc2cccnc2)cc2c1-c1ccc(Br)cc1C2.
What is the InChIKey of 7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine?
The InChIKey is LNGZTGOYQXKCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN2/c19-14-3-4-16-12(8-14)7-13-9-15(22-18(20)17(13)16)6-11-2-1-5-21-10-11/h1-5,8-10H,6-7H2.
What are the key properties of 7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine?
7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine has a molecular weight of 371.67 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-chloro-3-(pyridin-3-ylmethyl)-5H-indeno[1,2-c]pyridine is sourced from PubChem (CID 159400547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).