[2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid

C13H10Cl2FN3O2 — CID 146264641

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(F)ccc1Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2FN3O2/c1-19(13(20)21)11-5-8(16)2-3-10(11)18-12-9(15)4-7(14)6-17-12/h2-6H,1H3,(H,17,18)(H,20,21)
InChIKeyFVLXFNAYEXHERA-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.39
Rot. Bonds3

About [2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid

[2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid (PubChem CID 146264641) has the molecular formula C13H10Cl2FN3O2 and a molecular weight of 330.15 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid
PubChem CID146264641
Molecular FormulaC13H10Cl2FN3O2
Molecular Weight330.15 g/mol
Exact Mass329.01
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(F)ccc1Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2FN3O2/c1-19(13(20)21)11-5-8(16)2-3-10(11)18-12-9(15)4-7(14)6-17-12/h2-6H,1H3,(H,17,18)(H,20,21)
InChIKeyFVLXFNAYEXHERA-UHFFFAOYSA-N
XLogP4.39
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid (CID 146264641) is [2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid is CN(C(=O)O)c1cc(F)ccc1Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid?
The InChIKey is FVLXFNAYEXHERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN3O2/c1-19(13(20)21)11-5-8(16)2-3-10(11)18-12-9(15)4-7(14)6-17-12/h2-6H,1H3,(H,17,18)(H,20,21).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid?
[2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid has a molecular weight of 330.15 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-5-fluorophenyl]-methylcarbamic acid is sourced from PubChem (CID 146264641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).