CID 89301473

C11H14BN2 — CID 89301473

IUPAC—
SMILESC[B]CCCc1c[nH]c2ncccc12
InChIInChI=1S/C11H14BN2/c1-12-6-2-4-9-8-14-11-10(9)5-3-7-13-11/h3,5,7-8H,2,4,6H2,1H3,(H,13,14)
InChIKeyVUTJSIWVRYOOAJ-UHFFFAOYSA-N
MW185.06 g/mol
LogP2.67
Rot. Bonds4

About CID 89301473

CID 89301473 (PubChem CID 89301473) has the molecular formula C11H14BN2 and a molecular weight of 185.06 g/mol.

Molecular Properties

Compound NameCID 89301473
PubChem CID89301473
Molecular FormulaC11H14BN2
Molecular Weight185.06 g/mol
Exact Mass185.13
IUPAC Name—
SMILESC[B]CCCc1c[nH]c2ncccc12
InChIInChI=1S/C11H14BN2/c1-12-6-2-4-9-8-14-11-10(9)5-3-7-13-11/h3,5,7-8H,2,4,6H2,1H3,(H,13,14)
InChIKeyVUTJSIWVRYOOAJ-UHFFFAOYSA-N
XLogP2.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 89301473 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine
CID 59362853
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589
ethane;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
CID 91517846
2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 166427820
2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
CID 122081853
1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
CID 134604131
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 101366417
N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144795
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816
1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine
CID 66413706

Frequently Asked Questions

What is the IUPAC name of CID 89301473?
The IUPAC name of CID 89301473 (CID 89301473) is not available.
What is the SMILES notation for CID 89301473?
The canonical SMILES for CID 89301473 is C[B]CCCc1c[nH]c2ncccc12.
What is the InChIKey of CID 89301473?
The InChIKey is VUTJSIWVRYOOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BN2/c1-12-6-2-4-9-8-14-11-10(9)5-3-7-13-11/h3,5,7-8H,2,4,6H2,1H3,(H,13,14).
What are the key properties of CID 89301473?
CID 89301473 has a molecular weight of 185.06 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89301473 is sourced from PubChem (CID 89301473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).