5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine

C6H7ClFN — CID 135234791

IUPAC5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine
SMILESCC1NC=C(Cl)C=C1F
InChIInChI=1S/C6H7ClFN/c1-4-6(8)2-5(7)3-9-4/h2-4,9H,1H3
InChIKeyNYXLQACPDOICRZ-UHFFFAOYSA-N
MW147.58 g/mol
LogP1.91
Rot. Bonds

About 5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine

5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine (PubChem CID 135234791) has the molecular formula C6H7ClFN and a molecular weight of 147.58 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine
PubChem CID135234791
Molecular FormulaC6H7ClFN
Molecular Weight147.58 g/mol
Exact Mass147.03
IUPAC Name5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine
SMILESCC1NC=C(Cl)C=C1F
InChIInChI=1S/C6H7ClFN/c1-4-6(8)2-5(7)3-9-4/h2-4,9H,1H3
InChIKeyNYXLQACPDOICRZ-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.58
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine 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

2-Chloropicoline
CID 19964169
2,4-Dichloropicoline
CID 129796948
2-chloro-2-(trifluoromethyl)-1H-pyridine
CID 69641406
4-Chloro-5-fluoro-alpha-bromo-2-picoline
CID 86750042
5-Fluoro-2-methyl-1,2-dihydropyridine
CID 90950322
(1E,3Z)-2-chloro-4-fluoro-N-propan-2-ylhexa-1,3-dien-1-amine
CID 139340918
2-chloro-5-fluoro-2-methyl-1H-pyridine
CID 140555369
3-Fluoro-2,5-dimethyl-1,2-dihydropyridine
CID 141806046
3-Chloro-2-methyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 141910937
5-Chloro-2-methyl-3-(trifluoromethyl)-1,2-dihydropyridine
CID 141910948
3-Fluoro-2-methyl-1,2-dihydropyridine
CID 145491768
2,5-dichloro-2-(trifluoromethyl)-1H-pyridine
CID 151273190

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine?
The IUPAC name of 5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine (CID 135234791) is 5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine is CC1NC=C(Cl)C=C1F.
What is the InChIKey of 5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine?
The InChIKey is NYXLQACPDOICRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN/c1-4-6(8)2-5(7)3-9-4/h2-4,9H,1H3.
What are the key properties of 5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine?
5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine has a molecular weight of 147.58 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-methyl-1,2-dihydropyridine is sourced from PubChem (CID 135234791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).