2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile

C12H10ClN3S — CID 83076516

IUPAC2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1cscc1CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C12H10ClN3S/c1-8-6-17-7-10(8)5-15-12-3-9(4-14)2-11(13)16-12/h2-3,6-7H,5H2,1H3,(H,15,16)
InChIKeyLZZQEWCKCLKCJJ-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.59
Rot. Bonds3

About 2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile

2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 83076516) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile
PubChem CID83076516
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile
SMILESCc1cscc1CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C12H10ClN3S/c1-8-6-17-7-10(8)5-15-12-3-9(4-14)2-11(13)16-12/h2-3,6-7H,5H2,1H3,(H,15,16)
InChIKeyLZZQEWCKCLKCJJ-UHFFFAOYSA-N
XLogP3.59
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 106192881
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
CID 83077164
2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 83076437
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582
2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 83077718
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile
CID 106196714
2-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine
CID 80942307
2-chloro-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 83073946
2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile
CID 83074490
2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile
CID 83076266
2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile
CID 83077417

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile (CID 83076516) is 2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile is Cc1cscc1CNc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is LZZQEWCKCLKCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c1-8-6-17-7-10(8)5-15-12-3-9(4-14)2-11(13)16-12/h2-3,6-7H,5H2,1H3,(H,15,16).
What are the key properties of 2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile?
2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile has a molecular weight of 263.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83076516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).