5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine

C16H11ClF5N3 — CID 175628777

IUPAC5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine
SMILESNC(=C/C(Cc1ncc(Cl)cc1F)=N\c1ccc(F)c(F)c1)C(F)F
InChIInChI=1S/C16H11ClF5N3/c17-8-3-13(20)15(24-7-8)6-10(5-14(23)16(21)22)25-9-1-2-11(18)12(19)4-9/h1-5,7,16H,6,23H2/b14-5?,25-10+
InChIKeyYUFAGTVLTHNLTH-QREYXXNNSA-N
MW375.73 g/mol
LogP4.58
Rot. Bonds5

About 5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine

5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine (PubChem CID 175628777) has the molecular formula C16H11ClF5N3 and a molecular weight of 375.73 g/mol. Its IUPAC name is 5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine.

Molecular Properties

Compound Name5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine
PubChem CID175628777
Molecular FormulaC16H11ClF5N3
Molecular Weight375.73 g/mol
Exact Mass375.06
IUPAC Name5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine
SMILESNC(=C/C(Cc1ncc(Cl)cc1F)=N\c1ccc(F)c(F)c1)C(F)F
InChIInChI=1S/C16H11ClF5N3/c17-8-3-13(20)15(24-7-8)6-10(5-14(23)16(21)22)25-9-1-2-11(18)12(19)4-9/h1-5,7,16H,6,23H2/b14-5?,25-10+
InChIKeyYUFAGTVLTHNLTH-QREYXXNNSA-N
XLogP4.58
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.73
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine?
The IUPAC name of 5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine (CID 175628777) is 5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine.
What is the SMILES notation for 5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine?
The canonical SMILES for 5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine is NC(=C/C(Cc1ncc(Cl)cc1F)=N\c1ccc(F)c(F)c1)C(F)F.
What is the InChIKey of 5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine?
The InChIKey is YUFAGTVLTHNLTH-QREYXXNNSA-N. The full InChI is InChI=1S/C16H11ClF5N3/c17-8-3-13(20)15(24-7-8)6-10(5-14(23)16(21)22)25-9-1-2-11(18)12(19)4-9/h1-5,7,16H,6,23H2/b14-5?,25-10+.
What are the key properties of 5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine?
5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine has a molecular weight of 375.73 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine is sourced from PubChem (CID 175628777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).