2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid

C12H11FN2O2S — CID 116812779

IUPAC2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(CNc2cccc(F)n2)s1
InChIInChI=1S/C12H11FN2O2S/c13-10-2-1-3-11(15-10)14-7-9-5-4-8(18-9)6-12(16)17/h1-5H,6-7H2,(H,14,15)(H,16,17)
InChIKeyRCWKNQWDPYDKKB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.52
Rot. Bonds5

About 2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid

2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid (PubChem CID 116812779) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
PubChem CID116812779
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(CNc2cccc(F)n2)s1
InChIInChI=1S/C12H11FN2O2S/c13-10-2-1-3-11(15-10)14-7-9-5-4-8(18-9)6-12(16)17/h1-5H,6-7H2,(H,14,15)(H,16,17)
InChIKeyRCWKNQWDPYDKKB-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.52
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

N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine
CID 61397845
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine
CID 116812815
2-[[5-(carboxymethyl)thiophen-2-yl]methylamino]benzoic acid
CID 82894049
N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide
CID 115658048
2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82894113
2-[5-[(3,3,3-trifluoropropylamino)methyl]thiophen-2-yl]acetic acid
CID 82894882
2-[5-[(3-ethylanilino)methyl]thiophen-2-yl]acetic acid
CID 82894842
2-[5-[[(5-chlorothiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894964
2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894390
2-[5-[[(2,5-difluorophenyl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894885
methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate
CID 115628469
methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
CID 54594897

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid (CID 116812779) is 2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(CNc2cccc(F)n2)s1.
What is the InChIKey of 2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid?
The InChIKey is RCWKNQWDPYDKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-10-2-1-3-11(15-10)14-7-9-5-4-8(18-9)6-12(16)17/h1-5H,6-7H2,(H,14,15)(H,16,17).
What are the key properties of 2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid?
2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 116812779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).