CID 59369505

C6H4BrN — CID 59369505

IUPAC—
SMILES[CH]c1cncc(Br)c1
InChIInChI=1S/C6H4BrN/c1-5-2-6(7)4-8-3-5/h1-4H
InChIKeyOTFLCRUFGSPSAK-UHFFFAOYSA-N
MW170.01 g/mol
LogP1.90
Rot. Bonds

About CID 59369505

CID 59369505 (PubChem CID 59369505) has the molecular formula C6H4BrN and a molecular weight of 170.01 g/mol.

Molecular Properties

Compound NameCID 59369505
PubChem CID59369505
Molecular FormulaC6H4BrN
Molecular Weight170.01 g/mol
Exact Mass168.95
IUPAC Name—
SMILES[CH]c1cncc(Br)c1
InChIInChI=1S/C6H4BrN/c1-5-2-6(7)4-8-3-5/h1-4H
InChIKeyOTFLCRUFGSPSAK-UHFFFAOYSA-N
XLogP1.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.01
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-bromopyridin-3-ol
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CID 820423
3-bromo-5-ethynylpyridine;hydrochloride
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sodium;5-bromopyridin-3-amine;hydroxide
CID 142881303
3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine
CID 58321914
(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669648
1-(5-bromo-3-pyridinyl)-2-methylpropan-1-one
CID 20782622
5-bromopyridin-3-amine;formamide
CID 175312718
(1S)-1-(5-bromo-3-pyridinyl)ethanol
CID 68671332
3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
CID 138396389
3-bromo-5-prop-1-en-2-ylpyridine
CID 86707020

Frequently Asked Questions

What is the IUPAC name of CID 59369505?
The IUPAC name of CID 59369505 (CID 59369505) is not available.
What is the SMILES notation for CID 59369505?
The canonical SMILES for CID 59369505 is [CH]c1cncc(Br)c1.
What is the InChIKey of CID 59369505?
The InChIKey is OTFLCRUFGSPSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN/c1-5-2-6(7)4-8-3-5/h1-4H.
What are the key properties of CID 59369505?
CID 59369505 has a molecular weight of 170.01 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369505 is sourced from PubChem (CID 59369505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).