[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine

C7H6ClF3N2 — CID 130071688

IUPAC[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)c(Cl)c(F)n1
InChIInChI=1S/C7H6ClF3N2/c8-5-4(6(9)10)1-3(2-12)13-7(5)11/h1,6H,2,12H2
InChIKeySYSVNWYLEWLZSG-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.27
Rot. Bonds2

About [5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine

[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine (PubChem CID 130071688) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is [5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
PubChem CID130071688
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)c(Cl)c(F)n1
InChIInChI=1S/C7H6ClF3N2/c8-5-4(6(9)10)1-3(2-12)13-7(5)11/h1,6H,2,12H2
InChIKeySYSVNWYLEWLZSG-UHFFFAOYSA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130074984
3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine
CID 130099205
methyl 2-[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134677861
6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine
CID 130080047
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 130098957
[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080557
[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 118829918
[4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
CID 130108006
6-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol
CID 130082575
[3-chloro-4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118836942
6-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridin-2-amine
CID 118997828

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine?
The IUPAC name of [5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine (CID 130071688) is [5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine is NCc1cc(C(F)F)c(Cl)c(F)n1.
What is the InChIKey of [5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine?
The InChIKey is SYSVNWYLEWLZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-5-4(6(9)10)1-3(2-12)13-7(5)11/h1,6H,2,12H2.
What are the key properties of [5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine?
[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine has a molecular weight of 210.59 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine is sourced from PubChem (CID 130071688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).