[6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine

C7H6ClF2N3O2 — CID 118831501

IUPAC[6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine
SMILESNCc1nc(Cl)cc([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H6ClF2N3O2/c8-5-1-4(13(14)15)6(7(9)10)3(2-11)12-5/h1,7H,2,11H2
InChIKeyMEKVDHGHOYUXKF-UHFFFAOYSA-N
MW237.59 g/mol
LogP2.04
Rot. Bonds3

About [6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine

[6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine (PubChem CID 118831501) has the molecular formula C7H6ClF2N3O2 and a molecular weight of 237.59 g/mol. Its IUPAC name is [6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine
PubChem CID118831501
Molecular FormulaC7H6ClF2N3O2
Molecular Weight237.59 g/mol
Exact Mass237.01
IUPAC Name[6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine
SMILESNCc1nc(Cl)cc([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H6ClF2N3O2/c8-5-1-4(13(14)15)6(7(9)10)3(2-11)12-5/h1,7H,2,11H2
InChIKeyMEKVDHGHOYUXKF-UHFFFAOYSA-N
XLogP2.04
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723
2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
CID 119017807
6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine
CID 119014709
[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069859
2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118994549
[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118848230
[5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine
CID 118808844
[3-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 118848182
6-(chloromethyl)-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 118843765
[3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol
CID 133100033
2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119007926
2-[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]acetic acid
CID 134674036

Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine?
The IUPAC name of [6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine (CID 118831501) is [6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine.
What is the SMILES notation for [6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine?
The canonical SMILES for [6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine is NCc1nc(Cl)cc([N+](=O)[O-])c1C(F)F.
What is the InChIKey of [6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine?
The InChIKey is MEKVDHGHOYUXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N3O2/c8-5-1-4(13(14)15)6(7(9)10)3(2-11)12-5/h1,7H,2,11H2.
What are the key properties of [6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine?
[6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine has a molecular weight of 237.59 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine is sourced from PubChem (CID 118831501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).