6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine

C11H12ClN3S — CID 115474328

IUPAC6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
SMILESCc1ccsc1CNc1nc(Cl)ccc1N
InChIInChI=1S/C11H12ClN3S/c1-7-4-5-16-9(7)6-14-11-8(13)2-3-10(12)15-11/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyMAXOEDSDRPVBOU-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.30
Rot. Bonds3

About 6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine

6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine (PubChem CID 115474328) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
PubChem CID115474328
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
SMILESCc1ccsc1CNc1nc(Cl)ccc1N
InChIInChI=1S/C11H12ClN3S/c1-7-4-5-16-9(7)6-14-11-8(13)2-3-10(12)15-11/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyMAXOEDSDRPVBOU-UHFFFAOYSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-[(3-methylthiophen-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984697
6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine
CID 115474154
2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine
CID 115474210
3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112726147
3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine
CID 34013980
6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
CID 115474027
5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80759163
4-N-[(3-methylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486426
5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81439435
8-N-[(3-methylthiophen-2-yl)methyl]isoquinoline-5,8-diamine
CID 103138732
6-chloro-2-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80545855
8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80854414

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine (CID 115474328) is 6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine is Cc1ccsc1CNc1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine?
The InChIKey is MAXOEDSDRPVBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7-4-5-16-9(7)6-14-11-8(13)2-3-10(12)15-11/h2-5H,6,13H2,1H3,(H,14,15).
What are the key properties of 6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine?
6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine has a molecular weight of 253.76 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 115474328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).