5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine

C16H13ClF3NO — CID 172564488

IUPAC5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine
SMILESCc1cc(Cl)c(-c2ccc(OCC3CC3(F)F)nc2)cc1F
InChIInChI=1S/C16H13ClF3NO/c1-9-4-13(17)12(5-14(9)18)10-2-3-15(21-7-10)22-8-11-6-16(11,19)20/h2-5,7,11H,6,8H2,1H3
InChIKeyVVOZBMUPSJSODJ-UHFFFAOYSA-N
MW327.73 g/mol
LogP4.88
Rot. Bonds4

About 5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine

5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine (PubChem CID 172564488) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine.

Molecular Properties

Compound Name5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine
PubChem CID172564488
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC Name5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine
SMILESCc1cc(Cl)c(-c2ccc(OCC3CC3(F)F)nc2)cc1F
InChIInChI=1S/C16H13ClF3NO/c1-9-4-13(17)12(5-14(9)18)10-2-3-15(21-7-10)22-8-11-6-16(11,19)20/h2-5,7,11H,6,8H2,1H3
InChIKeyVVOZBMUPSJSODJ-UHFFFAOYSA-N
XLogP4.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine 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-4-[6-[[(1S)-2,2-difluorocyclopropyl]methoxy]-3-pyridinyl]-2-fluoroaniline
CID 172564262
5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine
CID 170620232
3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol
CID 142537242
5-chloro-2-(cyclopropylmethoxy)pyridine
CID 66234565
2-(2-chloro-5-fluoro-4-methylphenyl)-5-ethoxy-1,3-oxazole
CID 116864942
5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 159032603
1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene
CID 134626862
(1R,9S)-N-[5-chloro-4-[6-(cyclobutylmethoxy)-3-pyridinyl]-2-fluorophenyl]-5-oxo-3,4,12-triazatricyclo[7.2.1.02,7]dodeca-2,6-diene-12-carboxamide
CID 172564470
[5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879266
5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carbonitrile
CID 116879963
3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 126471087
N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
CID 171389649

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine?
The IUPAC name of 5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine (CID 172564488) is 5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine.
What is the SMILES notation for 5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine?
The canonical SMILES for 5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine is Cc1cc(Cl)c(-c2ccc(OCC3CC3(F)F)nc2)cc1F.
What is the InChIKey of 5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine?
The InChIKey is VVOZBMUPSJSODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-9-4-13(17)12(5-14(9)18)10-2-3-15(21-7-10)22-8-11-6-16(11,19)20/h2-5,7,11H,6,8H2,1H3.
What are the key properties of 5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine?
5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine has a molecular weight of 327.73 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine is sourced from PubChem (CID 172564488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).