(4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate

C13H6Cl2FN3O5 — CID 167510664

IUPAC(4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate
SMILESO=C(NC(=O)c1cc(F)c(Cl)nc1Cl)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H6Cl2FN3O5/c14-10-8(5-9(16)11(15)17-10)12(20)18-13(21)24-7-3-1-6(2-4-7)19(22)23/h1-5H,(H,18,20,21)
InChIKeyVRDRMLUHAHPAHX-UHFFFAOYSA-N
MW374.11 g/mol
LogP3.36
Rot. Bonds3

About (4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate

(4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate (PubChem CID 167510664) has the molecular formula C13H6Cl2FN3O5 and a molecular weight of 374.11 g/mol. Its IUPAC name is (4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate
PubChem CID167510664
Molecular FormulaC13H6Cl2FN3O5
Molecular Weight374.11 g/mol
Exact Mass372.97
IUPAC Name(4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate
SMILESO=C(NC(=O)c1cc(F)c(Cl)nc1Cl)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H6Cl2FN3O5/c14-10-8(5-9(16)11(15)17-10)12(20)18-13(21)24-7-3-1-6(2-4-7)19(22)23/h1-5H,(H,18,20,21)
InChIKeyVRDRMLUHAHPAHX-UHFFFAOYSA-N
XLogP3.36
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.11
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl) N-(2,6-difluorobenzoyl)carbamate
CID 57286081
(4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate
CID 140879711
(4-nitrophenyl) N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 155292903
(4-nitrophenyl) N-(3,4-dichloroanilino)carbamate
CID 59053947
(4-nitrophenyl) N-chlorosulfonylcarbamate
CID 13382505
(4-nitrophenyl) N-[[4-[[(4-nitrophenoxy)carbonylamino]methyl]phenyl]methyl]carbamate
CID 57126958
(4-nitrophenyl) 2-(6-chloro-3-cyano-5-fluorooxy-2-pyridinyl)acetate
CID 87700837
(4-nitrophenyl) N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]carbamate
CID 155749569
(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 86718069
(4-nitrophenyl) N-[(1S)-1-(3-chlorophenyl)ethyl]carbamate
CID 86718082
(4-nitrophenyl) N-pyridin-4-ylcarbamate
CID 10355188
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate?
The IUPAC name of (4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate (CID 167510664) is (4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate.
What is the SMILES notation for (4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate?
The canonical SMILES for (4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate is O=C(NC(=O)c1cc(F)c(Cl)nc1Cl)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate?
The InChIKey is VRDRMLUHAHPAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2FN3O5/c14-10-8(5-9(16)11(15)17-10)12(20)18-13(21)24-7-3-1-6(2-4-7)19(22)23/h1-5H,(H,18,20,21).
What are the key properties of (4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate?
(4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate has a molecular weight of 374.11 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-(2,6-dichloro-5-fluoropyridine-3-carbonyl)carbamate is sourced from PubChem (CID 167510664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).