CID 175624301

C11H14BN2 — CID 175624301

IUPAC—
SMILESC[B]C(C)(C)c1cn2ccccc2n1
InChIInChI=1S/C11H14BN2/c1-11(2,12-3)9-8-14-7-5-4-6-10(14)13-9/h4-8H,1-3H3
InChIKeyFCGVAVPPDGXCEA-UHFFFAOYSA-N
MW185.06 g/mol
LogP2.32
Rot. Bonds2

About CID 175624301

CID 175624301 (PubChem CID 175624301) has the molecular formula C11H14BN2 and a molecular weight of 185.06 g/mol.

Molecular Properties

Compound NameCID 175624301
PubChem CID175624301
Molecular FormulaC11H14BN2
Molecular Weight185.06 g/mol
Exact Mass185.13
IUPAC Name—
SMILESC[B]C(C)(C)c1cn2ccccc2n1
InChIInChI=1S/C11H14BN2/c1-11(2,12-3)9-8-14-7-5-4-6-10(14)13-9/h4-8H,1-3H3
InChIKeyFCGVAVPPDGXCEA-UHFFFAOYSA-N
XLogP2.32
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 156790925
CID 156790925
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine
CID 59380864
4-(5-imidazo[1,2-a]pyridin-2-yl-2,5-dimethylhexan-2-yl)-1,3-thiazole
CID 154989408
2-fluoroimidazo[1,2-a]pyridine
CID 68592134
2-(3,3,3-trifluoroprop-1-en-2-yl)imidazo[1,2-a]pyridine
CID 175690845
2-[(E)-prop-1-enyl]imidazo[1,2-a]pyridine
CID 129127602
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618
N-methylimidazo[1,2-a]pyridin-2-amine
CID 66790990
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
N-methylsulfanylimidazo[1,2-a]pyridin-2-amine
CID 147221875
(1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride
CID 155970924

Frequently Asked Questions

What is the IUPAC name of CID 175624301?
The IUPAC name of CID 175624301 (CID 175624301) is not available.
What is the SMILES notation for CID 175624301?
The canonical SMILES for CID 175624301 is C[B]C(C)(C)c1cn2ccccc2n1.
What is the InChIKey of CID 175624301?
The InChIKey is FCGVAVPPDGXCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BN2/c1-11(2,12-3)9-8-14-7-5-4-6-10(14)13-9/h4-8H,1-3H3.
What are the key properties of CID 175624301?
CID 175624301 has a molecular weight of 185.06 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175624301 is sourced from PubChem (CID 175624301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).