2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride

C7H3ClF3N3O3S — CID 131468991

IUPAC2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESN#Cc1c(OC(F)(F)F)cnc(N)c1S(=O)(=O)Cl
InChIInChI=1S/C7H3ClF3N3O3S/c8-18(15,16)5-3(1-12)4(2-14-6(5)13)17-7(9,10)11/h2H,(H2,13,14)
InChIKeyLGINTZUVLXNBLQ-UHFFFAOYSA-N
MW301.63 g/mol
LogP1.36
Rot. Bonds2

About 2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride

2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 131468991) has the molecular formula C7H3ClF3N3O3S and a molecular weight of 301.63 g/mol. Its IUPAC name is 2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID131468991
Molecular FormulaC7H3ClF3N3O3S
Molecular Weight301.63 g/mol
Exact Mass300.95
IUPAC Name2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESN#Cc1c(OC(F)(F)F)cnc(N)c1S(=O)(=O)Cl
InChIInChI=1S/C7H3ClF3N3O3S/c8-18(15,16)5-3(1-12)4(2-14-6(5)13)17-7(9,10)11/h2H,(H2,13,14)
InChIKeyLGINTZUVLXNBLQ-UHFFFAOYSA-N
XLogP1.36
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.63
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128
2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118996877
methyl 2-amino-3-cyano-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096925
3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 133095287
4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134670036
2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133095290
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119020973
3-chloro-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 130089630
3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672534
4-bromo-2-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118839363
4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118804853

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 131468991) is 2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride is N#Cc1c(OC(F)(F)F)cnc(N)c1S(=O)(=O)Cl.
What is the InChIKey of 2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is LGINTZUVLXNBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3N3O3S/c8-18(15,16)5-3(1-12)4(2-14-6(5)13)17-7(9,10)11/h2H,(H2,13,14).
What are the key properties of 2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 301.63 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 131468991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).