N-[(3,4-dichloro-2-pyridinyl)methyl]formamide

C7H6Cl2N2O — CID 139487439

IUPACN-[(3,4-dichloro-2-pyridinyl)methyl]formamide
SMILESO=CNCc1nccc(Cl)c1Cl
InChIInChI=1S/C7H6Cl2N2O/c8-5-1-2-11-6(7(5)9)3-10-4-12/h1-2,4H,3H2,(H,10,12)
InChIKeyQFXQZLTYVXHOQX-UHFFFAOYSA-N
MW205.04 g/mol
LogP1.63
Rot. Bonds3

About N-[(3,4-dichloro-2-pyridinyl)methyl]formamide

N-[(3,4-dichloro-2-pyridinyl)methyl]formamide (PubChem CID 139487439) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is N-[(3,4-dichloro-2-pyridinyl)methyl]formamide.

Molecular Properties

Compound NameN-[(3,4-dichloro-2-pyridinyl)methyl]formamide
PubChem CID139487439
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC NameN-[(3,4-dichloro-2-pyridinyl)methyl]formamide
SMILESO=CNCc1nccc(Cl)c1Cl
InChIInChI=1S/C7H6Cl2N2O/c8-5-1-2-11-6(7(5)9)3-10-4-12/h1-2,4H,3H2,(H,10,12)
InChIKeyQFXQZLTYVXHOQX-UHFFFAOYSA-N
XLogP1.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichloro-2-pyridinyl)methyl]formamide?
The IUPAC name of N-[(3,4-dichloro-2-pyridinyl)methyl]formamide (CID 139487439) is N-[(3,4-dichloro-2-pyridinyl)methyl]formamide.
What is the SMILES notation for N-[(3,4-dichloro-2-pyridinyl)methyl]formamide?
The canonical SMILES for N-[(3,4-dichloro-2-pyridinyl)methyl]formamide is O=CNCc1nccc(Cl)c1Cl.
What is the InChIKey of N-[(3,4-dichloro-2-pyridinyl)methyl]formamide?
The InChIKey is QFXQZLTYVXHOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c8-5-1-2-11-6(7(5)9)3-10-4-12/h1-2,4H,3H2,(H,10,12).
What are the key properties of N-[(3,4-dichloro-2-pyridinyl)methyl]formamide?
N-[(3,4-dichloro-2-pyridinyl)methyl]formamide has a molecular weight of 205.04 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichloro-2-pyridinyl)methyl]formamide is sourced from PubChem (CID 139487439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).