CID 89027190

C5H4BClNO2 — CID 89027190

IUPAC—
SMILESO[B]Oc1ccnc(Cl)c1
InChIInChI=1S/C5H4BClNO2/c7-5-3-4(10-6-9)1-2-8-5/h1-3,9H
InChIKeyIIWQDLVQAUTZGN-UHFFFAOYSA-N
MW156.36 g/mol
LogP0.64
Rot. Bonds2

About CID 89027190

CID 89027190 (PubChem CID 89027190) has the molecular formula C5H4BClNO2 and a molecular weight of 156.36 g/mol.

Molecular Properties

Compound NameCID 89027190
PubChem CID89027190
Molecular FormulaC5H4BClNO2
Molecular Weight156.36 g/mol
Exact Mass156.00
IUPAC Name—
SMILESO[B]Oc1ccnc(Cl)c1
InChIInChI=1S/C5H4BClNO2/c7-5-3-4(10-6-9)1-2-8-5/h1-3,9H
InChIKeyIIWQDLVQAUTZGN-UHFFFAOYSA-N
XLogP0.64
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-4-pyridinyl)oxy]ethanamine
CID 84654514
2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide
CID 144505227
2-chloro-4-(3-methylbutoxy)pyridine
CID 63777400
4-(4-tert-butylphenoxy)-2-chloropyridine
CID 63777784
(2-chloro-4-pyridinyl) cyclopentanecarboxylate
CID 174614850
2-chloro-4-(3-chloro-5-methoxyphenoxy)pyridine
CID 71512689
2-chloro-4-(4-methylpentoxy)pyridine
CID 63776506
2-chloro-4-(2-propoxyethoxy)pyridine
CID 63778475
2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
3-[(2-chloro-4-pyridinyl)oxy]-4-methoxycyclobut-3-ene-1,2-dione
CID 118603804
4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline
CID 86641686
2-[2-[(2-chloro-4-pyridinyl)oxy]phenyl]ethanol
CID 107712373

Frequently Asked Questions

What is the IUPAC name of CID 89027190?
The IUPAC name of CID 89027190 (CID 89027190) is not available.
What is the SMILES notation for CID 89027190?
The canonical SMILES for CID 89027190 is O[B]Oc1ccnc(Cl)c1.
What is the InChIKey of CID 89027190?
The InChIKey is IIWQDLVQAUTZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BClNO2/c7-5-3-4(10-6-9)1-2-8-5/h1-3,9H.
What are the key properties of CID 89027190?
CID 89027190 has a molecular weight of 156.36 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89027190 is sourced from PubChem (CID 89027190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).