CID 177316259

C11H7BN4 — CID 177316259

IUPAC—
SMILES[B]c1cn2cc(-c3cccnc3)nc2cn1
InChIInChI=1S/C11H7BN4/c12-10-7-16-6-9(15-11(16)5-14-10)8-2-1-3-13-4-8/h1-7H
InChIKeyCYYHAMAIXPFKFI-UHFFFAOYSA-N
MW206.02 g/mol
LogP0.59
Rot. Bonds1

About CID 177316259

CID 177316259 (PubChem CID 177316259) has the molecular formula C11H7BN4 and a molecular weight of 206.02 g/mol.

Molecular Properties

Compound NameCID 177316259
PubChem CID177316259
Molecular FormulaC11H7BN4
Molecular Weight206.02 g/mol
Exact Mass206.08
IUPAC Name—
SMILES[B]c1cn2cc(-c3cccnc3)nc2cn1
InChIInChI=1S/C11H7BN4/c12-10-7-16-6-9(15-11(16)5-14-10)8-2-1-3-13-4-8/h1-7H
InChIKeyCYYHAMAIXPFKFI-UHFFFAOYSA-N
XLogP0.59
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.02
LogP ≤ 50.59
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

6-iodo-2-pyridin-3-ylimidazo[1,2-a]pyridine
CID 169323354
2-pyridin-3-ylimidazo[1,2-a]pyrimidine
CID 10035574
N-ethyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-6-amine
CID 82059752
2,6-dipyridin-3-ylpyridine
CID 13349632
8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine
CID 71492664
1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid
CID 117099169
cyclopenta[c]azepine
CID 638010
2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine
CID 58090487
CID 172572684
CID 172572684
6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 86660860
3-azulen-6-ylpyridine
CID 86232079
CID 163747948
CID 163747948

Frequently Asked Questions

What is the IUPAC name of CID 177316259?
The IUPAC name of CID 177316259 (CID 177316259) is not available.
What is the SMILES notation for CID 177316259?
The canonical SMILES for CID 177316259 is [B]c1cn2cc(-c3cccnc3)nc2cn1.
What is the InChIKey of CID 177316259?
The InChIKey is CYYHAMAIXPFKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BN4/c12-10-7-16-6-9(15-11(16)5-14-10)8-2-1-3-13-4-8/h1-7H.
What are the key properties of CID 177316259?
CID 177316259 has a molecular weight of 206.02 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177316259 is sourced from PubChem (CID 177316259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).