(2,5-difluoro-4-pyridinyl)methanamine;hydrochloride

C6H7ClF2N2 — CID 118607014

IUPAC(2,5-difluoro-4-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1cc(F)ncc1F
InChIInChI=1S/C6H6F2N2.ClH/c7-5-3-10-6(8)1-4(5)2-9;/h1,3H,2,9H2;1H
InChIKeyWKZBPPUWNAQWKY-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.24
Rot. Bonds1

About (2,5-difluoro-4-pyridinyl)methanamine;hydrochloride

(2,5-difluoro-4-pyridinyl)methanamine;hydrochloride (PubChem CID 118607014) has the molecular formula C6H7ClF2N2 and a molecular weight of 180.59 g/mol. Its IUPAC name is (2,5-difluoro-4-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,5-difluoro-4-pyridinyl)methanamine;hydrochloride
PubChem CID118607014
Molecular FormulaC6H7ClF2N2
Molecular Weight180.59 g/mol
Exact Mass180.03
IUPAC Name(2,5-difluoro-4-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1cc(F)ncc1F
InChIInChI=1S/C6H6F2N2.ClH/c7-5-3-10-6(8)1-4(5)2-9;/h1,3H,2,9H2;1H
InChIKeyWKZBPPUWNAQWKY-UHFFFAOYSA-N
XLogP1.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.24
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

[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine
CID 171787037
2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid
CID 84670465
N'-[(4,6-difluoro-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271663
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
(E)-N-[(2,5-difluoro-4-pyridinyl)methyl]-2-methylbut-2-enamide
CID 155778817
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
(2,5-difluoro-4-pyridinyl)-trimethylsilane
CID 11298395
(5-fluoro-1,2-benzoxazol-6-yl)methanamine
CID 117109985
4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
CID 130096360
(4-bromo-2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 171906157
[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine
CID 53474963
[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118704338

Frequently Asked Questions

What is the IUPAC name of (2,5-difluoro-4-pyridinyl)methanamine;hydrochloride?
The IUPAC name of (2,5-difluoro-4-pyridinyl)methanamine;hydrochloride (CID 118607014) is (2,5-difluoro-4-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for (2,5-difluoro-4-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for (2,5-difluoro-4-pyridinyl)methanamine;hydrochloride is Cl.NCc1cc(F)ncc1F.
What is the InChIKey of (2,5-difluoro-4-pyridinyl)methanamine;hydrochloride?
The InChIKey is WKZBPPUWNAQWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2.ClH/c7-5-3-10-6(8)1-4(5)2-9;/h1,3H,2,9H2;1H.
What are the key properties of (2,5-difluoro-4-pyridinyl)methanamine;hydrochloride?
(2,5-difluoro-4-pyridinyl)methanamine;hydrochloride has a molecular weight of 180.59 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluoro-4-pyridinyl)methanamine;hydrochloride is sourced from PubChem (CID 118607014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).