5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine

C9H7BrClN3 — CID 103582572

IUPAC5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine
SMILESClc1cc(Br)cnc1Nn1cccc1
InChIInChI=1S/C9H7BrClN3/c10-7-5-8(11)9(12-6-7)13-14-3-1-2-4-14/h1-6H,(H,12,13)
InChIKeyUMVAFRVNUNJSMA-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.17
Rot. Bonds2

About 5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine

5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine (PubChem CID 103582572) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine
PubChem CID103582572
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine
SMILESClc1cc(Br)cnc1Nn1cccc1
InChIInChI=1S/C9H7BrClN3/c10-7-5-8(11)9(12-6-7)13-14-3-1-2-4-14/h1-6H,(H,12,13)
InChIKeyUMVAFRVNUNJSMA-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine
CID 79717901
5-bromo-3-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridin-2-amine
CID 103582598
5-bromo-3-chloro-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 103583097
5-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)pyridin-2-amine
CID 103583157
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
5-bromo-3-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 103582444
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-3-chloropyridin-2-amine
CID 103583373
5-bromo-3-chloro-N-(3-fluorophenyl)pyridin-2-amine
CID 103583086
5-bromo-3-chloro-N-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 103582386
5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
CID 103584101
5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
CID 103584161

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine (CID 103582572) is 5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine is Clc1cc(Br)cnc1Nn1cccc1.
What is the InChIKey of 5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine?
The InChIKey is UMVAFRVNUNJSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-7-5-8(11)9(12-6-7)13-14-3-1-2-4-14/h1-6H,(H,12,13).
What are the key properties of 5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine?
5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine has a molecular weight of 272.53 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-pyrrol-1-ylpyridin-2-amine is sourced from PubChem (CID 103582572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).