4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile

C14H13BN2S — CID 143542167

IUPAC4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile
SMILESCc1ccnc2cc(C3=CCB(C#N)CC3)sc12
InChIInChI=1S/C14H13BN2S/c1-10-4-7-17-12-8-13(18-14(10)12)11-2-5-15(9-16)6-3-11/h2,4,7-8H,3,5-6H2,1H3
InChIKeyNHWMNUUYVDMPJR-UHFFFAOYSA-N
MW252.15 g/mol
LogP3.95
Rot. Bonds1

About 4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile

4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile (PubChem CID 143542167) has the molecular formula C14H13BN2S and a molecular weight of 252.15 g/mol. Its IUPAC name is 4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile.

Molecular Properties

Compound Name4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile
PubChem CID143542167
Molecular FormulaC14H13BN2S
Molecular Weight252.15 g/mol
Exact Mass252.09
IUPAC Name4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile
SMILESCc1ccnc2cc(C3=CCB(C#N)CC3)sc12
InChIInChI=1S/C14H13BN2S/c1-10-4-7-17-12-8-13(18-14(10)12)11-2-5-15(9-16)6-3-11/h2,4,7-8H,3,5-6H2,1H3
InChIKeyNHWMNUUYVDMPJR-UHFFFAOYSA-N
XLogP3.95
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethylthieno[3,2-b]pyridine;ethane
CID 143768578
2-(hydroperoxymethyl)-7-methylthieno[3,2-b]pyridine
CID 23401181
[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamic acid
CID 66649055
2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine
CID 156784571
3-[(7-methylthieno[3,2-b]pyridin-2-yl)methyl]piperazin-2-one
CID 170041666
2-methylpyridine-4-carbonitrile
CID 118703758
7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine
CID 23156538
4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine
CID 86718090
7-chloro-2-pyrimidin-2-ylthieno[3,2-b]pyridine
CID 22143619
2-[4-[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile
CID 24661869
ethane;7-fluoro-4-methylquinoline
CID 142037193
tert-butyl 4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59457665

Frequently Asked Questions

What is the IUPAC name of 4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile?
The IUPAC name of 4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile (CID 143542167) is 4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile.
What is the SMILES notation for 4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile?
The canonical SMILES for 4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile is Cc1ccnc2cc(C3=CCB(C#N)CC3)sc12.
What is the InChIKey of 4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile?
The InChIKey is NHWMNUUYVDMPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BN2S/c1-10-4-7-17-12-8-13(18-14(10)12)11-2-5-15(9-16)6-3-11/h2,4,7-8H,3,5-6H2,1H3.
What are the key properties of 4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile?
4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile has a molecular weight of 252.15 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methylthieno[3,2-b]pyridin-2-yl)-3,6-dihydro-2H-borinine-1-carbonitrile is sourced from PubChem (CID 143542167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).