3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine

C14H12ClFN2O3 — CID 126720266

IUPAC3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine
SMILESCC(C)(Oc1ccc([N+](=O)[O-])cc1F)c1ncccc1Cl
InChIInChI=1S/C14H12ClFN2O3/c1-14(2,13-10(15)4-3-7-17-13)21-12-6-5-9(18(19)20)8-11(12)16/h3-8H,1-2H3
InChIKeyYQERKMUBHZQXNO-UHFFFAOYSA-N
MW310.71 g/mol
LogP4.10
Rot. Bonds4

About 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine

3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine (PubChem CID 126720266) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine
PubChem CID126720266
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine
SMILESCC(C)(Oc1ccc([N+](=O)[O-])cc1F)c1ncccc1Cl
InChIInChI=1S/C14H12ClFN2O3/c1-14(2,13-10(15)4-3-7-17-13)21-12-6-5-9(18(19)20)8-11(12)16/h3-8H,1-2H3
InChIKeyYQERKMUBHZQXNO-UHFFFAOYSA-N
XLogP4.10
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methylpyridine
CID 126720280
3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-6-methoxypyridine
CID 126720284
4-chloro-5-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]-2-methylpyridine
CID 126720261
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole
CID 54915723
1-chloro-2-(chloromethyl)-3-(2-fluoro-4-nitrophenoxy)benzene
CID 63566971
2-(2-fluoro-4-nitrophenoxy)acetonitrile
CID 60772665
2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
CID 154939680
2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine
CID 116519429
2-chloro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 61037465
1-butoxy-2-fluoro-4-nitrobenzene
CID 69029927
N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108520495

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine?
The IUPAC name of 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine (CID 126720266) is 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine.
What is the SMILES notation for 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine?
The canonical SMILES for 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine is CC(C)(Oc1ccc([N+](=O)[O-])cc1F)c1ncccc1Cl.
What is the InChIKey of 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine?
The InChIKey is YQERKMUBHZQXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c1-14(2,13-10(15)4-3-7-17-13)21-12-6-5-9(18(19)20)8-11(12)16/h3-8H,1-2H3.
What are the key properties of 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine?
3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine has a molecular weight of 310.71 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(2-fluoro-4-nitrophenoxy)propan-2-yl]pyridine is sourced from PubChem (CID 126720266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).