5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine

C10H10ClFN2S — CID 103738602

IUPAC5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine
SMILESC#CCSCCNc1ncc(Cl)cc1F
InChIInChI=1S/C10H10ClFN2S/c1-2-4-15-5-3-13-10-9(12)6-8(11)7-14-10/h1,6-7H,3-5H2,(H,13,14)
InChIKeyLAOAIPXKMACUJK-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.65
Rot. Bonds5

About 5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine

5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine (PubChem CID 103738602) has the molecular formula C10H10ClFN2S and a molecular weight of 244.72 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine
PubChem CID103738602
Molecular FormulaC10H10ClFN2S
Molecular Weight244.72 g/mol
Exact Mass244.02
IUPAC Name5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine
SMILESC#CCSCCNc1ncc(Cl)cc1F
InChIInChI=1S/C10H10ClFN2S/c1-2-4-15-5-3-13-10-9(12)6-8(11)7-14-10/h1,6-7H,3-5H2,(H,13,14)
InChIKeyLAOAIPXKMACUJK-UHFFFAOYSA-N
XLogP2.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 79728558
5-chloro-3-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130478073
5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine
CID 104925521
5-chloro-N-(2-prop-2-ynylsulfanylethyl)pyrimidin-4-amine
CID 102975894
5-bromo-N-(2-prop-2-ynylsulfanylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 114187889
2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine
CID 103757069
5-bromo-2-(2-prop-2-ynylsulfanylethylamino)pyridine-3-carboxylic acid
CID 106429424
4-chloro-1-N-(2-prop-2-ynylsulfanylethyl)benzene-1,2-diamine
CID 106426139
5-chloro-N-(2,2-difluoropropyl)-3-fluoropyridin-2-amine
CID 130639761
3,6-dichloro-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-5-amine
CID 106432020
2-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,5-diamine
CID 106426074
1-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylpropane-1,2-diamine
CID 79867421

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine (CID 103738602) is 5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine is C#CCSCCNc1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine?
The InChIKey is LAOAIPXKMACUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2S/c1-2-4-15-5-3-13-10-9(12)6-8(11)7-14-10/h1,6-7H,3-5H2,(H,13,14).
What are the key properties of 5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine?
5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine has a molecular weight of 244.72 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 103738602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).