N-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide

C10H7ClN2OS — CID 59887381

IUPACN-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide
SMILESC/C(=N\C=O)c1cc2nccc(Cl)c2s1
InChIInChI=1S/C10H7ClN2OS/c1-6(13-5-14)9-4-8-10(15-9)7(11)2-3-12-8/h2-5H,1H3/b13-6+
InChIKeyPLPBCQCASANJNV-AWNIVKPZSA-N
MW238.70 g/mol
LogP2.92
Rot. Bonds2

About N-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide

N-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide (PubChem CID 59887381) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is N-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide.

Molecular Properties

Compound NameN-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide
PubChem CID59887381
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC NameN-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide
SMILESC/C(=N\C=O)c1cc2nccc(Cl)c2s1
InChIInChI=1S/C10H7ClN2OS/c1-6(13-5-14)9-4-8-10(15-9)7(11)2-3-12-8/h2-5H,1H3/b13-6+
InChIKeyPLPBCQCASANJNV-AWNIVKPZSA-N
XLogP2.92
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide?
The IUPAC name of N-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide (CID 59887381) is N-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide.
What is the SMILES notation for N-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide?
The canonical SMILES for N-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide is C/C(=N\C=O)c1cc2nccc(Cl)c2s1.
What is the InChIKey of N-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide?
The InChIKey is PLPBCQCASANJNV-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c1-6(13-5-14)9-4-8-10(15-9)7(11)2-3-12-8/h2-5H,1H3/b13-6+.
What are the key properties of N-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide?
N-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide has a molecular weight of 238.70 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chlorothieno[3,2-b]pyridin-2-yl)ethylidene]formamide is sourced from PubChem (CID 59887381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).