methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate

C13H11ClFN3O2 — CID 113019008

IUPACmethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C13H11ClFN3O2/c1-20-13(19)18-9-3-5-12(16-7-9)17-8-2-4-11(15)10(14)6-8/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyIBMZVLPNJNREDC-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.80
Rot. Bonds3

About methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate

methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate (PubChem CID 113019008) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
PubChem CID113019008
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Namemethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C13H11ClFN3O2/c1-20-13(19)18-9-3-5-12(16-7-9)17-8-2-4-11(15)10(14)6-8/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyIBMZVLPNJNREDC-UHFFFAOYSA-N
XLogP3.80
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019009
methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113020119
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
methyl N-[6-(3-acetamidoanilino)-3-pyridinyl]carbamate
CID 113020514
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019113
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113019012
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate
CID 113021680
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903
N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide
CID 113033674
N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109163790

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate (CID 113019008) is methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate is COC(=O)Nc1ccc(Nc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate?
The InChIKey is IBMZVLPNJNREDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c1-20-13(19)18-9-3-5-12(16-7-9)17-8-2-4-11(15)10(14)6-8/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate?
methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate has a molecular weight of 295.70 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113019008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).