2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine

C10H7ClF2N2 — CID 59826898

IUPAC2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine
SMILESC=C1CN=C(c2cccnc2Cl)C1(F)F
InChIInChI=1S/C10H7ClF2N2/c1-6-5-15-8(10(6,12)13)7-3-2-4-14-9(7)11/h2-4H,1,5H2
InChIKeyANGRZUNSVBVJIP-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.73
Rot. Bonds1

About 2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine

2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine (PubChem CID 59826898) has the molecular formula C10H7ClF2N2 and a molecular weight of 228.63 g/mol. Its IUPAC name is 2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine
PubChem CID59826898
Molecular FormulaC10H7ClF2N2
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine
SMILESC=C1CN=C(c2cccnc2Cl)C1(F)F
InChIInChI=1S/C10H7ClF2N2/c1-6-5-15-8(10(6,12)13)7-3-2-4-14-9(7)11/h2-4H,1,5H2
InChIKeyANGRZUNSVBVJIP-UHFFFAOYSA-N
XLogP2.73
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine?
The IUPAC name of 2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine (CID 59826898) is 2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine.
What is the SMILES notation for 2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine?
The canonical SMILES for 2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine is C=C1CN=C(c2cccnc2Cl)C1(F)F.
What is the InChIKey of 2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine?
The InChIKey is ANGRZUNSVBVJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2/c1-6-5-15-8(10(6,12)13)7-3-2-4-14-9(7)11/h2-4H,1,5H2.
What are the key properties of 2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine?
2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine has a molecular weight of 228.63 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4,4-difluoro-3-methylidene-2H-pyrrol-5-yl)pyridine is sourced from PubChem (CID 59826898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).