(2-chloro-5-fluoroquinolin-7-yl)methanamine

C10H8ClFN2 — CID 171502076

IUPAC(2-chloro-5-fluoroquinolin-7-yl)methanamine
SMILESNCc1cc(F)c2ccc(Cl)nc2c1
InChIInChI=1S/C10H8ClFN2/c11-10-2-1-7-8(12)3-6(5-13)4-9(7)14-10/h1-4H,5,13H2
InChIKeyMWOGVAJCPYAWGC-UHFFFAOYSA-N
MW210.64 g/mol
LogP2.49
Rot. Bonds1

About (2-chloro-5-fluoroquinolin-7-yl)methanamine

(2-chloro-5-fluoroquinolin-7-yl)methanamine (PubChem CID 171502076) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is (2-chloro-5-fluoroquinolin-7-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluoroquinolin-7-yl)methanamine
PubChem CID171502076
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name(2-chloro-5-fluoroquinolin-7-yl)methanamine
SMILESNCc1cc(F)c2ccc(Cl)nc2c1
InChIInChI=1S/C10H8ClFN2/c11-10-2-1-7-8(12)3-6(5-13)4-9(7)14-10/h1-4H,5,13H2
InChIKeyMWOGVAJCPYAWGC-UHFFFAOYSA-N
XLogP2.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 52.49
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-7-methylquinolin-4-yl)methanamine
CID 115024953
7-(aminomethyl)-4-chloroquinoline-2-carbonitrile
CID 143730981
(3,4,5-trifluorophenyl)methanamine;hydrochloride
CID 86064922
2-chloro-7-fluoro-5-methoxyquinoline
CID 154577051
[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanamine
CID 105498362
[4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 102615256
6-(aminomethyl)-3-chloroisoquinolin-1-amine
CID 118482425
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
2-chloro-1,6-naphthyridin-7-amine
CID 138605042
[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 63077354
(3-fluoro-5-iodo-4-methoxyphenyl)methanamine
CID 171010748

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluoroquinolin-7-yl)methanamine?
The IUPAC name of (2-chloro-5-fluoroquinolin-7-yl)methanamine (CID 171502076) is (2-chloro-5-fluoroquinolin-7-yl)methanamine.
What is the SMILES notation for (2-chloro-5-fluoroquinolin-7-yl)methanamine?
The canonical SMILES for (2-chloro-5-fluoroquinolin-7-yl)methanamine is NCc1cc(F)c2ccc(Cl)nc2c1.
What is the InChIKey of (2-chloro-5-fluoroquinolin-7-yl)methanamine?
The InChIKey is MWOGVAJCPYAWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c11-10-2-1-7-8(12)3-6(5-13)4-9(7)14-10/h1-4H,5,13H2.
What are the key properties of (2-chloro-5-fluoroquinolin-7-yl)methanamine?
(2-chloro-5-fluoroquinolin-7-yl)methanamine has a molecular weight of 210.64 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluoroquinolin-7-yl)methanamine is sourced from PubChem (CID 171502076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).