(2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine

C8H6Cl2N2S — CID 130048890

IUPAC(2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine
SMILESNCc1cnc(Cl)c2sc(Cl)cc12
InChIInChI=1S/C8H6Cl2N2S/c9-6-1-5-4(2-11)3-12-8(10)7(5)13-6/h1,3H,2,11H2
InChIKeyQVTVXWYKYDNDIS-UHFFFAOYSA-N
MW233.12 g/mol
LogP3.06
Rot. Bonds1

About (2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine

(2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine (PubChem CID 130048890) has the molecular formula C8H6Cl2N2S and a molecular weight of 233.12 g/mol. Its IUPAC name is (2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine.

Molecular Properties

Compound Name(2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine
PubChem CID130048890
Molecular FormulaC8H6Cl2N2S
Molecular Weight233.12 g/mol
Exact Mass231.96
IUPAC Name(2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine
SMILESNCc1cnc(Cl)c2sc(Cl)cc12
InChIInChI=1S/C8H6Cl2N2S/c9-6-1-5-4(2-11)3-12-8(10)7(5)13-6/h1,3H,2,11H2
InChIKeyQVTVXWYKYDNDIS-UHFFFAOYSA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.12
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol
CID 130048898
(2,5-dichlorothiophen-3-yl)methanamine;hydrochloride
CID 71757986
7-chloro-2,4-dimethylthieno[2,3-c]pyridine
CID 130048871
[2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine
CID 115036950
[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine
CID 130073732
[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine
CID 107125215
2,4,6-trichlorothieno[2,3-d]pyrimidine
CID 18460009
(2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride
CID 155978043
(2,5-dichloro-4-pyridinyl)methanamine;hydrochloride
CID 118607245
[6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095491
(4-chloro-2-propan-2-ylpyrimidin-5-yl)methanamine
CID 83851947
(2-tert-butyl-4-chloropyrimidin-5-yl)methanamine
CID 83852101

Frequently Asked Questions

What is the IUPAC name of (2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine?
The IUPAC name of (2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine (CID 130048890) is (2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine.
What is the SMILES notation for (2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine?
The canonical SMILES for (2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine is NCc1cnc(Cl)c2sc(Cl)cc12.
What is the InChIKey of (2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine?
The InChIKey is QVTVXWYKYDNDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2S/c9-6-1-5-4(2-11)3-12-8(10)7(5)13-6/h1,3H,2,11H2.
What are the key properties of (2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine?
(2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine has a molecular weight of 233.12 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine is sourced from PubChem (CID 130048890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).