2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine

C14H12BrN3 — CID 114051468

IUPAC2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine
SMILESBrc1ncccc1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H12BrN3/c15-14-12(2-1-6-17-14)18-9-10-3-4-11-5-7-16-13(11)8-10/h1-8,16,18H,9H2
InChIKeyIHEFCPKUKSBDDU-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.94
Rot. Bonds3

About 2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine

2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine (PubChem CID 114051468) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine
PubChem CID114051468
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine
SMILESBrc1ncccc1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H12BrN3/c15-14-12(2-1-6-17-14)18-9-10-3-4-11-5-7-16-13(11)8-10/h1-8,16,18H,9H2
InChIKeyIHEFCPKUKSBDDU-UHFFFAOYSA-N
XLogP3.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-6-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 102910401
2-bromo-5-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102911508
4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102909447
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
3-chloro-2-fluoro-N-(1H-indol-6-ylmethyl)aniline
CID 102909401
2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyridin-3-amine
CID 103744166
2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline
CID 102909414
2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 104819732
2-bromo-N-(1H-indol-6-ylmethyl)-5-nitroaniline
CID 102911634
4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide
CID 67500980
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 107619291
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine
CID 104819734

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine (CID 114051468) is 2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine is Brc1ncccc1NCc1ccc2cc[nH]c2c1.
What is the InChIKey of 2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine?
The InChIKey is IHEFCPKUKSBDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c15-14-12(2-1-6-17-14)18-9-10-3-4-11-5-7-16-13(11)8-10/h1-8,16,18H,9H2.
What are the key properties of 2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine?
2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine has a molecular weight of 302.18 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 114051468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).