N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine

C10H8ClFN2S — CID 61397845

IUPACN-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine
SMILESFc1cccc(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C10H8ClFN2S/c11-8-5-4-7(15-8)6-13-10-3-1-2-9(12)14-10/h1-5H,6H2,(H,13,14)
InChIKeyPSAXPESUGFECPV-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.55
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine (PubChem CID 61397845) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine
PubChem CID61397845
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine
SMILESFc1cccc(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C10H8ClFN2S/c11-8-5-4-7(15-8)6-13-10-3-1-2-9(12)14-10/h1-5H,6H2,(H,13,14)
InChIKeyPSAXPESUGFECPV-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.55
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-[5-[[(6-fluoro-2-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 116812779
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine
CID 116812815
N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine
CID 102808091
N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80719127
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80836366
N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine
CID 114276507
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyridin-2-amine
CID 106375630
N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine
CID 43730787
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-fluoropyridin-2-amine
CID 130747863
6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106015208
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 28878881
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-6-nitroaniline
CID 81310767

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine (CID 61397845) is N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine is Fc1cccc(NCc2ccc(Cl)s2)n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine?
The InChIKey is PSAXPESUGFECPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c11-8-5-4-7(15-8)6-13-10-3-1-2-9(12)14-10/h1-5H,6H2,(H,13,14).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine has a molecular weight of 242.71 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 61397845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).