5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine

C16H10ClFN2S — CID 170644962

IUPAC5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine
SMILESC#Cc1csc2c(NCc3ccccc3F)cc(Cl)nc12
InChIInChI=1S/C16H10ClFN2S/c1-2-10-9-21-16-13(7-14(17)20-15(10)16)19-8-11-5-3-4-6-12(11)18/h1,3-7,9H,8H2,(H,19,20)
InChIKeyKDAVQBFDUSPLDT-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.68
Rot. Bonds3

About 5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine

5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 170644962) has the molecular formula C16H10ClFN2S and a molecular weight of 316.79 g/mol. Its IUPAC name is 5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine
PubChem CID170644962
Molecular FormulaC16H10ClFN2S
Molecular Weight316.79 g/mol
Exact Mass316.02
IUPAC Name5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine
SMILESC#Cc1csc2c(NCc3ccccc3F)cc(Cl)nc12
InChIInChI=1S/C16H10ClFN2S/c1-2-10-9-21-16-13(7-14(17)20-15(10)16)19-8-11-5-3-4-6-12(11)18/h1,3-7,9H,8H2,(H,19,20)
InChIKeyKDAVQBFDUSPLDT-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-[(3-fluoro-4-pyridinyl)methyl]thieno[3,2-b]pyridin-7-amine
CID 170644333
5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile
CID 154681219
2-[(2R,3R)-3-aminooxan-2-yl]-3-bromo-5-chloro-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine
CID 170644407
5-chloro-N-[(2-fluorophenyl)methyl]-2-[(2R)-oxan-2-yl]thieno[3,2-b]pyridin-7-amine
CID 170644359
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385
6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 112724528
6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715459
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine
CID 66079324
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050780
2-(2-aminopropyl)-5-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-3-methylthieno[3,2-b]pyridin-7-amine
CID 175365847

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine (CID 170644962) is 5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine is C#Cc1csc2c(NCc3ccccc3F)cc(Cl)nc12.
What is the InChIKey of 5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is KDAVQBFDUSPLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2S/c1-2-10-9-21-16-13(7-14(17)20-15(10)16)19-8-11-5-3-4-6-12(11)18/h1,3-7,9H,8H2,(H,19,20).
What are the key properties of 5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine?
5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 316.79 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethynyl-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 170644962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).