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

C7H7ClF2N2 — CID 130095491

IUPAC[6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1cnc(Cl)cc1C(F)F
InChIInChI=1S/C7H7ClF2N2/c8-6-1-5(7(9)10)4(2-11)3-12-6/h1,3,7H,2,11H2
InChIKeyFUPCCYYRDWGRSR-UHFFFAOYSA-N
MW192.60 g/mol
LogP2.13
Rot. Bonds2

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

[6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine (PubChem CID 130095491) has the molecular formula C7H7ClF2N2 and a molecular weight of 192.60 g/mol. Its IUPAC name is [6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine
PubChem CID130095491
Molecular FormulaC7H7ClF2N2
Molecular Weight192.60 g/mol
Exact Mass192.03
IUPAC Name[6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1cnc(Cl)cc1C(F)F
InChIInChI=1S/C7H7ClF2N2/c8-6-1-5(7(9)10)4(2-11)3-12-6/h1,3,7H,2,11H2
InChIKeyFUPCCYYRDWGRSR-UHFFFAOYSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 52.13
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

2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119019335
[5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098028
[4-(difluoromethyl)-6-propan-2-yl-3-pyridinyl]methanamine
CID 84669445
methyl 2-[6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088361
(2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride
CID 155978043
(2,5-dichloro-4-pyridinyl)methanamine;hydrochloride
CID 118607245
[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089748
(1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine
CID 55271464
[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098363
[3-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 118848182
[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 118829918
[6-amino-4-(difluoromethyl)-3-pyridinyl]methanol
CID 119013180

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine (CID 130095491) is [6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine is NCc1cnc(Cl)cc1C(F)F.
What is the InChIKey of [6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is FUPCCYYRDWGRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2/c8-6-1-5(7(9)10)4(2-11)3-12-6/h1,3,7H,2,11H2.
What are the key properties of [6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine?
[6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 192.60 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 130095491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).