CID 66825367

C10H6BCl2N2O2 — CID 66825367

IUPAC—
SMILESClc1cncc(O[B]Oc2cncc(Cl)c2)c1
InChIInChI=1S/C10H6BCl2N2O2/c12-7-1-9(5-14-3-7)16-11-17-10-2-8(13)4-15-6-10/h1-6H
InChIKeyRQKOJJZYYOEAPB-UHFFFAOYSA-N
MW267.89 g/mol
LogP2.78
Rot. Bonds4

About CID 66825367

CID 66825367 (PubChem CID 66825367) has the molecular formula C10H6BCl2N2O2 and a molecular weight of 267.89 g/mol.

Molecular Properties

Compound NameCID 66825367
PubChem CID66825367
Molecular FormulaC10H6BCl2N2O2
Molecular Weight267.89 g/mol
Exact Mass266.99
IUPAC Name—
SMILESClc1cncc(O[B]Oc2cncc(Cl)c2)c1
InChIInChI=1S/C10H6BCl2N2O2/c12-7-1-9(5-14-3-7)16-11-17-10-2-8(13)4-15-6-10/h1-6H
InChIKeyRQKOJJZYYOEAPB-UHFFFAOYSA-N
XLogP2.78
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.89
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
3-chloro-5-(2-chloroethoxy)pyridine
CID 10559633
CID 57245472
CID 57245472
chloro hypochlorite;3,5-dichloropyridine;selane
CID 174537044
3-chloro-5-(4-chlorobutoxy)pyridine
CID 64601364
3,5-dichloropyridine;ethane
CID 142010125
2-chloro-6-[(5-chloro-3-pyridinyl)oxy]pyrazine
CID 64600398
3-[(5-chloro-3-pyridinyl)oxy]-6-methoxypyridazine
CID 134124576
3-chloro-5-(2,6-difluorophenoxy)pyridine
CID 141409360
2-[(5-chloro-3-pyridinyl)oxy]-1,3-thiazol-5-amine
CID 102769518
2-chloro-4-[(5-chloro-3-pyridinyl)oxy]aniline
CID 22148760
5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine
CID 66319604

Frequently Asked Questions

What is the IUPAC name of CID 66825367?
The IUPAC name of CID 66825367 (CID 66825367) is not available.
What is the SMILES notation for CID 66825367?
The canonical SMILES for CID 66825367 is Clc1cncc(O[B]Oc2cncc(Cl)c2)c1.
What is the InChIKey of CID 66825367?
The InChIKey is RQKOJJZYYOEAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BCl2N2O2/c12-7-1-9(5-14-3-7)16-11-17-10-2-8(13)4-15-6-10/h1-6H.
What are the key properties of CID 66825367?
CID 66825367 has a molecular weight of 267.89 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66825367 is sourced from PubChem (CID 66825367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).