6-phenyl-1,3-azaborinin-2-amine

C10H9BN2 — CID 91097985

IUPAC6-phenyl-1,3-azaborinin-2-amine
SMILESNc1bccc(-c2ccccc2)n1
InChIInChI=1S/C10H9BN2/c12-10-11-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13)
InChIKeyXSFAYRVEQAMXCR-UHFFFAOYSA-N
MW168.01 g/mol
LogP1.67
Rot. Bonds1

About 6-phenyl-1,3-azaborinin-2-amine

6-phenyl-1,3-azaborinin-2-amine (PubChem CID 91097985) has the molecular formula C10H9BN2 and a molecular weight of 168.01 g/mol. Its IUPAC name is 6-phenyl-1,3-azaborinin-2-amine.

Molecular Properties

Compound Name6-phenyl-1,3-azaborinin-2-amine
PubChem CID91097985
Molecular FormulaC10H9BN2
Molecular Weight168.01 g/mol
Exact Mass168.09
IUPAC Name6-phenyl-1,3-azaborinin-2-amine
SMILESNc1bccc(-c2ccccc2)n1
InChIInChI=1S/C10H9BN2/c12-10-11-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13)
InChIKeyXSFAYRVEQAMXCR-UHFFFAOYSA-N
XLogP1.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.01
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-6-phenylpyridin-2-amine
CID 131322440
2-phenylquinolin-8-amine
CID 19955861
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
6-phenylpyridazin-4-amine
CID 13068495
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
CID 67041293
2,4-diphenylpyrimidine;yttrium
CID 59738567
2-(bromomethyl)-6-phenylpyridin-4-amine
CID 131464961
4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene
CID 164778968
iridium;tris(2-phenylquinoline)
CID 122129463
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,3-azaborinin-2-amine?
The IUPAC name of 6-phenyl-1,3-azaborinin-2-amine (CID 91097985) is 6-phenyl-1,3-azaborinin-2-amine.
What is the SMILES notation for 6-phenyl-1,3-azaborinin-2-amine?
The canonical SMILES for 6-phenyl-1,3-azaborinin-2-amine is Nc1bccc(-c2ccccc2)n1.
What is the InChIKey of 6-phenyl-1,3-azaborinin-2-amine?
The InChIKey is XSFAYRVEQAMXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BN2/c12-10-11-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13).
What are the key properties of 6-phenyl-1,3-azaborinin-2-amine?
6-phenyl-1,3-azaborinin-2-amine has a molecular weight of 168.01 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,3-azaborinin-2-amine is sourced from PubChem (CID 91097985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).